Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2269400

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

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.53
RPS6KB1 P23443 9/20 0.53
AURKB Q96GD4 7/20 0.53
PARP1 P09874 1/20 0.47
CHIT1 Q13231 1/20 0.44
KCNMA1 Q12791 1/20 0.43
MTOR P42345 2/20 0.43
LMNA P02545 1/20 0.42
ROCK2 O75116 2/20 0.42
CDC7 O00311 1/20 0.42
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
PDPK1 O15530 1/20 0.41

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
SCHEMBL3824517 0.95 AURKA (0.57) AURKARPS6KB1AURKBPARP1LMNA
Trifluoroacetic Acid SCHEMBL2266587 0.93 AURKA (0.54) AURKARPS6KB1AURKBPARP1KCNMA1
Trifluoroacetic Acid SCHEMBL2269047 0.92 AURKA (0.47) AURKARPS6KB1AURKBPARP1KCNMA1
Trifluoroacetic Acid SCHEMBL2266473 0.91 AURKA (0.49) AURKARPS6KB1AURKBPARP1KCNMA1
Trifluoroacetic Acid SCHEMBL2267555 0.90 PARP1 (0.47) AURKARPS6KB1AURKBPARP1KCNMA1
Trifluoroacetic Acid SCHEMBL2265237 0.90 AURKA (0.56) AURKARPS6KB1AURKBPARP1KCNMA1
Trifluoroacetic Acid SCHEMBL2272491 0.90 KCNMA1 (0.57) AURKARPS6KB1AURKBPARP1CHIT1
Trifluoroacetic Acid SCHEMBL2267257 0.90 AURKA (0.52) AURKARPS6KB1AURKBPARP1KCNMA1
Trifluoroacetic Acid SCHEMBL2267560 0.89 AURKA (0.49) AURKARPS6KB1AURKBPARP1KCNMA1
Trifluoroacetic Acid SCHEMBL2267687 0.89 AURKA (0.51) AURKARPS6KB1AURKBPARP1KCNMA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.