Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4730241

CNC1CCC(C(=O)NCc2cc(-c3cccc([S+](C)[O-])c3)ccc2OC)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
QRFPR Q96P65 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 6/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
LMNA P02545 1/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
CYP1A2 P05177 1/20 0.37

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 SCHEMBL4734503 0.93 HPGD (0.41) HPGDKDM4ENPSR1L3MBTL1QRFPR
Trifluoroacetic Acid SCHEMBL4730245 0.90 ADORA2A (0.38) KDM4EPPARGPPARDPPARAADORA2A
Trifluoroacetic Acid SCHEMBL4733113 0.86 HPGD (0.43) HPGDKDM4ENPSR1L3MBTL1QRFPR
Trifluoroacetic Acid SCHEMBL4732311 0.84 PPARD (0.47) HPGDKDM4ENPSR1L3MBTL1QRFPR
Trifluoroacetic Acid SCHEMBL4732768 0.83 QRFPR (0.44) HPGDKDM4ENPSR1L3MBTL1QRFPR
Hydrochloric Acid SCHEMBL4732640 0.82 HPGD (0.55) HPGDKDM4ENPSR1L3MBTL1QRFPR
Trifluoroacetic Acid SCHEMBL4734511 0.82 TACR1 (0.36) KDM4EALDH1A1PPARDPPARAADORA2A
Trifluoroacetic Acid SCHEMBL4730617 0.81 RXFP1 (0.43) HPGDKDM4ENPSR1L3MBTL1QRFPR
Trifluoroacetic Acid SCHEMBL4731908 0.81 RXFP1 (0.43) HPGDKDM4ENPSR1L3MBTL1QRFPR
Trifluoroacetic Acid SCHEMBL4733545 0.81 KDM4E (0.42) HPGDKDM4ENPSR1L3MBTL1QRFPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273747-B2 tert-Butyl (4-((4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino)-cyclohexyl)-methyl-carbamate; hedgehog pathway agonists; alopecia; angiogenesis; wound healing; alzheimer's disease; inhibit aging effects on skin CURIS, INC. (US) 2012-09-25 US disclosed
US-20080193423-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
US-20080194637-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
US-20080182859-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin CURIS, INC. (US) 2008-07-31 US disclosed
WO-2008057497-A2 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
WO-2008057469-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION WYETH (US) 2008-05-15 WO disclosed
WO-2008057468-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
US-20080058521-A1 Processes for the preparation of compounds WYETH (US) 2008-03-06 US disclosed
WO-2007089669-A2 PROCESSES FOR THE PREPARATION OF COMPOUNDS WHICH MODULATE CELL PROLIFERATION WYETH (US) 2007-08-09 WO 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 (4 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-20080193423-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO HPGD 3329/4885KDM4E 274/4885NPSR1 3215/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX HPGD 827/4885KDM4E 1883/4885NPSR1 2016/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO HPGD 3329/4885KDM4E 274/4885NPSR1 3215/4885
US-20080182859-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin SHH, GLI1, SMO HPGD 3204/4885KDM4E 52/4885NPSR1 3888/4885

“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.