Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4369666

O=C(NCc1cccc(Cl)c1)Nc1ccc2[nH]c(-c3cscn3)nc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.46
METAP1 P53582 3/20 0.43
METAP2 P50579 2/20 0.43
ROCK1 Q13464 2/20 0.42
EPHX2 P34913 1/20 0.40
TP53 P04637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
F11 P03951 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
FKBP1A P62942 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4366083 0.94 ROCK2 (0.51) ROCK2METAP1METAP2ROCK1TP53
Trifluoroacetic Acid SCHEMBL4369775 0.93 METAP1 (0.42) ROCK2METAP1METAP2ROCK1TP53
Trifluoroacetic Acid SCHEMBL4369298 0.91 MTOR (0.44) ROCK2METAP1ROCK1SMN1; SMN2NAMPT
Trifluoroacetic Acid SCHEMBL4367703 0.87 METAP1 (0.45) ROCK2METAP1METAP2ROCK1TP53
SCHEMBL4375570 0.87 MTOR (0.46) METAP1METAP2TP53NPC1RAB9A
SCHEMBL4363687 0.86 METAP1 (0.47) ROCK2METAP1METAP2ROCK1TP53
SCHEMBL4363701 0.86 ROCK2 (0.52) ROCK2METAP1METAP2ROCK1TP53
SCHEMBL4364774 0.86 ROCK2 (0.51) ROCK2METAP1METAP2ROCK1EPHX2
SCHEMBL4366496 0.83 ROCK2 (0.55) ROCK2METAP1METAP2ROCK1TP53
SCHEMBL4367576 0.82 METAP1 (0.49) ROCK2METAP1METAP2TP53NPC1

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
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US claimed
EP-1581217-A4 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2007-07-11 EP claimed
US-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 US claimed
EP-1581217-A1 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-10-05 EP claimed
WO-2004041277-A1 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-05-21 WO claimed
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US disclosed
EP-1581217-A4 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2007-07-11 EP disclosed
US-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 US disclosed
EP-1581217-A1 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-10-05 EP disclosed
WO-2004041277-A1 CARBONYLAMINO-BENZIMIDAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2004-05-21 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 (1 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-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators AR, SHBG, BRCA1 ROCK2 1265/4885METAP1 3988/4885METAP2 4604/4885

“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.