Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL381740

FC(F)(F)CN1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.39
PKM P14618 1/20 0.38
SLC2A1 P11166 1/20 0.37
SIGMAR1 Q99720 4/20 0.37
CHRM5 P08912 3/20 0.36
CHRM3 P20309 3/20 0.36
HRH4 Q9H3N8 2/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
KDM5C P41229 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL5652 0.85 POLB (0.38) HPGDSSIGMAR1CHRM5CHRM3HRH3
SCHEMBL2102695 0.85 POLB (0.38) HPGDSSIGMAR1CHRM5CHRM3HRH3
Trifluoroacetic Acid SCHEMBL5269618 0.85 SIGMAR1 (0.45) PKMSLC2A1SIGMAR1CHRM5CHRM3
Bromide SCHEMBL2121063 0.83 POLB (0.37) HPGDSSIGMAR1CHRM5CHRM3HRH3
Hydrochloric Acid SCHEMBL931508 0.83 SMN1; SMN2 (0.37) HPGDSSIGMAR1CHRM5CHRM3ALDH1A1
Hydrochloric Acid SCHEMBL1922905 0.83 SMN1; SMN2 (0.37) HPGDSSIGMAR1CHRM5CHRM3ALDH1A1
Trifluoroacetic Acid SCHEMBL6897031 0.81 SIGMAR1 (0.44) PKMSLC2A1SIGMAR1CHRM5CHRM3
Trifluoroacetic Acid SCHEMBL1401786 0.79 PKM (0.38) PKMSLC2A1SIGMAR1CHRM5CHRM3
Trifluoroacetic Acid SCHEMBL1401787 0.79 PKM (0.38) PKMSLC2A1SIGMAR1CHRM5CHRM3
Trifluoroacetic Acid SCHEMBL29384411 0.79 CXCR4 (0.43) PKMSIGMAR1CHRM5CHRM3ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106232584-B As 6 inhibitor of histone deacetylase new compound and include its pharmaceutical composition 株式会社钟根堂 2019-06-28 CN disclosed
US-10287255-B2 Compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2019-05-14 US disclosed
EP-3116859-B1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2018-08-01 EP disclosed
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-04-06 US disclosed
EP-3116859-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2017-01-18 EP disclosed
CN-106232584-A As the new compound of histone deacetylase 6 inhibitor and the pharmaceutical composition comprising it 株式会社钟根堂 2016-12-14 CN disclosed
WO-2015137750-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-09-17 WO disclosed
EP-2049513-B1 PIPERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2012-01-25 EP disclosed
US-7829582-B2 Piperidinyl substituted pyrrolidinones as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-11-09 US disclosed
US-20090088430-A1 PIERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-02 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 (3 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-10287255-B2 Compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same HDAC6, HDAC1, HDAC11 HPGDS 2185/4885PKM 1448/4885SLC2A1 4057/4885
US-20090088430-A1 PIERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 HPGDS 34/4885PKM 570/4885SLC2A1 1480/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 HPGDS 2033/4885PKM 1955/4885SLC2A1 4319/4885

“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.