Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2272491

NC(=O)c1n[nH]cc1NCc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.57
AURKA O14965 4/20 0.56
RPS6KB1 P23443 4/20 0.56
RXFP1 Q9HBX9 2/20 0.53
DDR2 Q16832 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
KDR P35968 2/20 0.48
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
CSF1R P07333 1/20 0.48
PDGFRB P09619 1/20 0.48
KIT P10721 1/20 0.48
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL12245102 0.97 KCNMA1 (0.60) KCNMA1AURKARPS6KB1RXFP1DDR2
Trifluoroacetic Acid SCHEMBL2267687 0.95 AURKA (0.51) KCNMA1AURKARPS6KB1RXFP1DDR2
Trifluoroacetic Acid SCHEMBL2267560 0.94 AURKA (0.49) KCNMA1AURKARPS6KB1RXFP1DDR2
SCHEMBL12296699 0.92 AURKA (0.54) KCNMA1AURKARPS6KB1RXFP1DDR2
Trifluoroacetic Acid SCHEMBL2266473 0.92 AURKA (0.49) KCNMA1AURKARPS6KB1RXFP1DDR2
Trifluoroacetic Acid SCHEMBL2268397 0.91 AURKA (0.48) KCNMA1AURKARPS6KB1RXFP1KDR
Trifluoroacetic Acid SCHEMBL2267329 0.90 AURKA (0.47) KCNMA1AURKARPS6KB1RXFP1DDR2
SCHEMBL3817574 0.90 AURKA (0.51) KCNMA1AURKARPS6KB1RXFP1DDR2
Trifluoroacetic Acid SCHEMBL2267555 0.90 PARP1 (0.47) KCNMA1AURKARPS6KB1RXFP1MEN1
Trifluoroacetic Acid SCHEMBL2269400 0.90 AURKA (0.53) KCNMA1AURKARPS6KB1LMNAPARP1

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

“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.