Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2267329

NC(=O)c1n[nH]cc1NCc1cccc(NC(=O)Nc2ccc(C(F)(F)F)cc2Cl)c1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.47
RPS6KB1 P23443 4/20 0.47
KCNMA1 Q12791 1/20 0.46
KDR P35968 1/20 0.46
AURKB Q96GD4 3/20 0.45
PDPK1 O15530 1/20 0.45
TRPV1 Q8NER1 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
RXFP1 Q9HBX9 2/20 0.44
DDR2 Q16832 1/20 0.42
PARP1 P09874 1/20 0.42
FLT3 P36888 1/20 0.41
RAF1 P04049 1/20 0.41
GRIK1 P39086 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 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
SCHEMBL12297307 0.97 AURKA (0.49) AURKARPS6KB1KCNMA1KDRAURKB
SCHEMBL2266637 0.91 AURKA (0.49) AURKARPS6KB1KCNMA1KDRAURKB
Trifluoroacetic Acid SCHEMBL2272491 0.90 KCNMA1 (0.57) AURKARPS6KB1KCNMA1KDRAURKB
Trifluoroacetic Acid SCHEMBL2267560 0.90 AURKA (0.49) AURKARPS6KB1KCNMA1KDRAURKB
Trifluoroacetic Acid SCHEMBL2268397 0.89 AURKA (0.48) AURKARPS6KB1KCNMA1KDRAURKB
SCHEMBL2265181 0.88 AURKA (0.50) AURKARPS6KB1KCNMA1KDRAURKB
Trifluoroacetic Acid SCHEMBL2267687 0.88 AURKA (0.51) AURKARPS6KB1KCNMA1KDRAURKB
SCHEMBL12245102 0.88 KCNMA1 (0.60) AURKARPS6KB1KCNMA1KDRAURKB
SCHEMBL3817574 0.87 AURKA (0.51) AURKARPS6KB1KCNMA1KDRAURKB
Trifluoroacetic Acid SCHEMBL2267513 0.86 TRPV1 (0.55) AURKARPS6KB1KDRAURKBTRPV1

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 422/4885KCNMA1 901/4885
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE CYP4B1, ADORA1, CYP1B1 AURKA 719/4885RPS6KB1 310/4885KCNMA1 678/4885
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 AURKA 693/4885RPS6KB1 422/4885KCNMA1 901/4885

“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.