Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2269109

Cc1ccc(C)c(NC(=O)Nc2cccc(CNc3c[nH]nc3C(N)=O)c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.45
RPS6KB1 P23443 9/20 0.45
AURKB Q96GD4 7/20 0.45
DDR2 Q16832 3/20 0.45
PARP1 P09874 1/20 0.43
GRIK1 P39086 1/20 0.41
DDR1 Q08345 2/20 0.41
EPHB4 P54760 1/20 0.40
PDPK1 O15530 2/20 0.40
KCNMA1 Q12791 1/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TPSAB1 Q15661 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL3818692 0.95 AURKA (0.49) AURKARPS6KB1AURKBDDR2PARP1
Trifluoroacetic Acid SCHEMBL2267257 0.92 AURKA (0.52) AURKARPS6KB1AURKBDDR2PARP1
Trifluoroacetic Acid SCHEMBL2267723 0.91 PARP1 (0.48) AURKARPS6KB1AURKBDDR2PARP1
Trifluoroacetic Acid SCHEMBL2269683 0.91 PARP1 (0.46) AURKARPS6KB1AURKBDDR2PARP1
Trifluoroacetic Acid SCHEMBL2269900 0.91 MAPT (0.52) AURKARPS6KB1AURKBEPHB4PDPK1
Trifluoroacetic Acid SCHEMBL2268948 0.90 PARP1 (0.45) AURKARPS6KB1AURKBDDR2PARP1
Trifluoroacetic Acid SCHEMBL2265231 0.88 AURKA (0.46) AURKARPS6KB1AURKBDDR2PARP1
SCHEMBL2270586 0.88 AURKA (0.49) AURKARPS6KB1AURKBDDR2PARP1
Trifluoroacetic Acid SCHEMBL2267555 0.87 PARP1 (0.47) AURKARPS6KB1AURKBPARP1PDPK1
SCHEMBL3823084 0.86 AURKA (0.57) AURKARPS6KB1AURKBPARP1PDPK1

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.