Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2265231

Cc1ccc(NC(=O)Nc2cccc(CNc3c[nH]nc3C(N)=O)c2)cc1C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.46
RPS6KB1 P23443 6/20 0.46
AURKB Q96GD4 5/20 0.46
DDR2 Q16832 3/20 0.45
FLT1 P17948 2/20 0.45
KDR P35968 2/20 0.45
PARP1 P09874 1/20 0.43
EPHB4 P54760 1/20 0.42
DDR1 Q08345 2/20 0.42
TRPV1 Q8NER1 2/20 0.41
KCNMA1 Q12791 1/20 0.41
CDK8 P49336 2/20 0.40
PDPK1 O15530 1/20 0.40
BRAF P15056 1/20 0.40

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
SCHEMBL3823518 0.97 AURKA (0.48) AURKARPS6KB1AURKBDDR2FLT1
Trifluoroacetic Acid SCHEMBL2268948 0.92 PARP1 (0.45) AURKARPS6KB1AURKBDDR2PARP1
Trifluoroacetic Acid SCHEMBL2267513 0.90 TRPV1 (0.55) AURKARPS6KB1AURKBFLT1KDR
Trifluoroacetic Acid SCHEMBL2269683 0.89 PARP1 (0.46) AURKARPS6KB1AURKBDDR2PARP1
Trifluoroacetic Acid SCHEMBL2267257 0.88 AURKA (0.52) AURKARPS6KB1AURKBDDR2PARP1
Trifluoroacetic Acid SCHEMBL2269109 0.88 AURKA (0.45) AURKARPS6KB1AURKBDDR2PARP1
Trifluoroacetic Acid SCHEMBL2266522 0.88 AURKA (0.60) AURKARPS6KB1AURKBPARP1TRPV1
Trifluoroacetic Acid SCHEMBL2267723 0.88 PARP1 (0.48) AURKARPS6KB1AURKBDDR2PARP1
Trifluoroacetic Acid SCHEMBL2267560 0.88 AURKA (0.49) AURKARPS6KB1AURKBDDR2FLT1
Trifluoroacetic Acid SCHEMBL2267555 0.87 PARP1 (0.47) AURKARPS6KB1AURKBKDRPARP1

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 422/4885AURKB 645/4885
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE CYP4B1, ADORA1, CYP1B1 AURKA 719/4885RPS6KB1 310/4885AURKB 715/4885
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 AURKA 693/4885RPS6KB1 422/4885AURKB 645/4885

“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.