Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2269640

COc1ccccc1NC(=O)Nc1cccc(CNc2c[nH]nc2C(N)=O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.58
RPS6KB1 P23443 6/20 0.58
AURKB Q96GD4 6/20 0.58
RAB9A P51151 3/20 0.48
NPC1 O15118 1/20 0.48
PARP1 P09874 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDPK1 O15530 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.44
CHIT1 Q13231 1/20 0.44
HIF1A Q16665 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL3822840 0.95 AURKA (0.63) AURKARPS6KB1AURKBRAB9ANPC1
Trifluoroacetic Acid SCHEMBL2273445 0.91 MAPT (0.51) AURKARPS6KB1AURKBMEN1KMT2A
Trifluoroacetic Acid SCHEMBL2269900 0.91 MAPT (0.52) AURKARPS6KB1AURKBRAB9AMEN1
Trifluoroacetic Acid SCHEMBL2267738 0.90 AURKA (0.55) AURKARPS6KB1AURKBRAB9ANPC1
Trifluoroacetic Acid SCHEMBL2267723 0.90 PARP1 (0.48) AURKARPS6KB1AURKBRAB9APARP1
Trifluoroacetic Acid SCHEMBL2266106 0.90 AURKA (0.50) AURKARPS6KB1AURKBPARP1MAPT
Trifluoroacetic Acid SCHEMBL2265237 0.89 AURKA (0.56) AURKARPS6KB1AURKBRAB9ANPC1
Trifluoroacetic Acid SCHEMBL2266500 0.88 HIF1A (0.52) AURKARPS6KB1AURKBPARP1MEN1
Trifluoroacetic Acid SCHEMBL2266522 0.88 AURKA (0.60) AURKARPS6KB1AURKBRAB9ANPC1
Trifluoroacetic Acid SCHEMBL2267555 0.87 PARP1 (0.47) AURKARPS6KB1AURKBRAB9ANPC1

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.