Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL16029740

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O.O.O=C(O)C(F)(F)F

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Trifluoroacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 known ✓ P41143 1/20 0.56
▸ NMUR2 Q9GZQ4 5/20 0.61
▸ NMUR1 Q9HB89 5/20 0.61
▸ F2 P00734 4/20 0.60
▸ NPY1R P25929 4/20 0.57
▸ NPY2R P49146 4/20 0.57
▸ NPY4R P50391 4/20 0.57
▸ NPY5R Q15761 4/20 0.57
▸ TFPI P10646 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL4139781 1.00 NMUR2 (0.61) NMUR2NMUR1F2NPY1RNPY2R
Trifluoroacetic Acid SCHEMBL29454826 1.00 NMUR2 (0.61) NMUR2NMUR1F2NPY1RNPY2R
Trifluoroacetic Acid SCHEMBL2034151 1.00 NMUR2 (0.61) NMUR2NMUR1F2NPY1RNPY2R
SCHEMBL23278082 0.97 NMUR2 (0.64) NMUR2NMUR1F2NPY1RNPY2R
SCHEMBL29389211 0.97 NMUR2 (0.64) NMUR2NMUR1F2NPY1RNPY2R
SCHEMBL25739 0.97 NMUR2 (0.64) NMUR2NMUR1F2NPY1RNPY2R
Acetic Acid SCHEMBL2037978 0.96 NMUR2 (0.63) NMUR2NMUR1F2NPY1RNPY2R
SCHEMBL28366588 0.96 NMUR2 (0.65) NMUR2NMUR1F2NPY1RNPY2R
SCHEMBL30753221 0.96 NMUR2 (0.61) NMUR2NMUR1F2NPY1RNPY2R
SCHEMBL23630197 0.95 NMUR2 (0.62) NMUR2NMUR1F2NPY1RNPY2R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210106538-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF BIOMACROMOLECULE AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2021-04-15 — — US claimed
EP-3471778-A2 COMPOSITIONS AND METHODS FOR DELIVERY OF BIOMACROMOLECULE AGENTS The Regents of The University of Michigan (US) 2019-04-24 — — EP claimed
WO-2018156617-A2 COMPOSITIONS AND METHODS FOR DELIVERY OF POLYMER / BIOMACROMOLECULE CONJUGATES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-08-30 — — WO claimed
WO-2017223085-A2 COMPOSITIONS AND METHODS FOR DELIVERY OF BIOMACROMOLECULE AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-12-28 — — WO claimed
US-9585931-B2 Cardiovascular disease treatment and prevention TRANSDERMAL BIOTECHNOLOGY, INC. (US) 2017-03-07 — — US claimed
US-20160213738-A1 CARDIOVASCULAR DISEASE TREATMENT AND PREVENTION TRANSDERMAL BIOTECHNOLOGY, INC. (US) 2016-07-28 — — US claimed
WO-2014160187-A1 CARDIOVASCULAR DISEASE TREATMENT AND PREVENTION TRANSDERMAL BIOTECHNOLOGY, INC. (US) 2014-10-02 — — WO claimed
US-20140271731-A1 CARDIOVASCULAR DISEASE TREATMENT AND PREVENTION TRANSDERMAL BIOTECHNOLOGY, INC. (US) 2014-09-18 — — US claimed
US-20140271801-A1 CARDIOVASCULAR DISEASE TREATMENT AND PREVENTION TRANSDERMAL BIOTECHNOLOGY, INC. (US) 2014-09-18 — — US claimed
CN-118043084-A Compositions and methods for metal-containing formulations capable of modulating immune responses 密执安大学评议会 2024-05-14 — — CN disclosed
EP-4228657-A1 CRYSTALLINE POLYMORPHIC FORMS OF STING AGONISTS ASSOCIATED WITH METAL IONS CAPABLE OF MODULATING AN IMMUNE RESPONSE The Regents Of The University Of Michigan (US) 2023-08-23 — — EP disclosed
CN-116390764-A Crystalline polymorphic forms of STING agonist bound to metal ions capable of modulating immune responses 密歇根大学董事会 2023-07-04 — — CN disclosed
WO-2023056427-A1 COMPOSITIONS AND METHODS FOR METAL CONTAINING FORMULATIONS CAPABLE OF MODULATING IMMUNE RESPONSE THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-04-06 — — WO disclosed
US-20230025865-A1 COMPOSITIONS AND METHODS FOR SYSTEMIC DELIVERY OF Bcl-2 AND Bcl-xL ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-01-26 — — US disclosed
US-20160158279-A1 SYSTEMS AND METHODS FOR DELIVERY OF PEPTIDES TRANSDERMAL BIOTECHNOLOGY, INC. (US) 2016-06-09 — — US disclosed
US-9295647-B2 Systems and methods for delivery of peptides TRANSDERMAL BIOTECHNOLOGY, INC. (US) 2016-03-29 — — US disclosed
US-20150231253-A1 SYSTEMS AND METHODS FOR DELIVERY OF PEPTIDES TRANSDERMAL BIOTECHNOLOGY, INC. (US) 2015-08-20 — — US disclosed
WO-2014160047-A2 SYSTEMS AND METHODS FOR DELIVERY OF PEPTIDES TRANSDERMAL BIOTECHNOLOGY, INC. (US) 2014-10-02 — — WO disclosed
US-20140271938-A1 SYSTEMS AND METHODS FOR DELIVERY OF PEPTIDES TRANSDERMAL BIOTECHNOLOGY, INC. (US) 2014-09-18 — — US disclosed
US-20140271808-A1 SYSTEMS AND METHODS FOR DELIVERY OF PEPTIDES TRANSDERMAL BIOTECHNOLOGY, INC. (US) 2014-09-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150231253-A1 SYSTEMS AND METHODS FOR DELIVERY OF PEPTIDES GNRHR, TRHR, LHCGR OPRD1 3379/4885NMUR2 562/4885NMUR1 531/4885
US-20160158279-A1 SYSTEMS AND METHODS FOR DELIVERY OF PEPTIDES NOS1, NOS2, NOS3 OPRD1 4147/4885NMUR2 974/4885NMUR1 903/4885
US-20140271938-A1 SYSTEMS AND METHODS FOR DELIVERY OF PEPTIDES GNRHR, TRHR, LHCGR OPRD1 3379/4885NMUR2 562/4885NMUR1 531/4885
US-20140271731-A1 CARDIOVASCULAR DISEASE TREATMENT AND PREVENTION SSTR5, SSTR3, TRHR OPRD1 4023/4885NMUR2 1788/4885NMUR1 1502/4885
US-20160213738-A1 CARDIOVASCULAR DISEASE TREATMENT AND PREVENTION SSTR5, SSTR3, TRHR OPRD1 4023/4885NMUR2 1788/4885NMUR1 1502/4885
US-20140271801-A1 CARDIOVASCULAR DISEASE TREATMENT AND PREVENTION LIPG, NOS1, CD47 OPRD1 4636/4885NMUR2 3342/4885NMUR1 2975/4885
US-20140271808-A1 SYSTEMS AND METHODS FOR DELIVERY OF PEPTIDES NOS1, NOS2, NOS3 OPRD1 4147/4885NMUR2 974/4885NMUR1 903/4885
US-20230025865-A1 COMPOSITIONS AND METHODS FOR SYSTEMIC DELIVERY OF Bcl-2 AND Bcl-xL ANTAGONISTS BCL2, BCL2L2, BCL2L1 OPRD1 4510/4885NMUR2 4096/4885NMUR1 4674/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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