Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2265451

NC(=O)c1n[nH]cc1NCc1cccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.49
RPS6KB1 P23443 6/20 0.49
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
CASP3 P42574 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
FPR2 P25090 1/20 0.45
EPHX2 P34913 2/20 0.45
AURKB Q96GD4 4/20 0.44
PARP1 P09874 1/20 0.44
PPARA Q07869 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
IGF1R P08069 2/20 0.43
STING1 Q86WV6 1/20 0.43
HIF1A Q16665 1/20 0.42

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
SCHEMBL12245098 0.97 AURKA (0.51) AURKARPS6KB1MEN1TP53MAPT
Trifluoroacetic Acid SCHEMBL2266500 0.91 HIF1A (0.52) AURKARPS6KB1MEN1TP53KMT2A
SCHEMBL2265104 0.91 AURKA (0.51) AURKARPS6KB1AURKBPARP1KDM5A
Trifluoroacetic Acid SCHEMBL2266587 0.90 AURKA (0.54) AURKARPS6KB1AURKBPARP1HIF1A
Trifluoroacetic Acid SCHEMBL2265245 0.90 MEN1 (0.50) AURKARPS6KB1MEN1MAPTHTT
Trifluoroacetic Acid SCHEMBL2269683 0.89 PARP1 (0.46) AURKARPS6KB1AURKBPARP1HIF1A
Trifluoroacetic Acid SCHEMBL2267560 0.89 AURKA (0.49) AURKARPS6KB1MEN1MAPTHTT
Trifluoroacetic Acid SCHEMBL2267555 0.89 PARP1 (0.47) AURKARPS6KB1MEN1MAPTKMT2A
Trifluoroacetic Acid SCHEMBL2269400 0.87 AURKA (0.53) AURKARPS6KB1AURKBPARP1
Trifluoroacetic Acid SCHEMBL2268948 0.86 PARP1 (0.45) AURKARPS6KB1TP53MAPTAURKB

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
EP-2091920-B1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI SA (FR) 2014-10-22 EP claimed
US-7989439-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI-AVENTIS (FR) 2011-08-02 US claimed
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2009-11-26 US claimed
US-8420824-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI (FR) 2013-04-16 US disclosed
US-8410286-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI-AVENTIS (FR) 2013-04-02 US disclosed
US-20110237801-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2011-09-29 US disclosed
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2011-09-29 US disclosed
US-7989439-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI-AVENTIS (FR) 2011-08-02 US disclosed
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2009-11-26 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-20110237801-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 AURKA 693/4885RPS6KB1 422/4885MEN1 2480/4885
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE CYP4B1, ADORA1, CYP1B1 AURKA 719/4885RPS6KB1 310/4885MEN1 2340/4885
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 AURKA 693/4885RPS6KB1 422/4885MEN1 2480/4885

“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.