Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2273445

COc1ccc(OC)c(NC(=O)Nc2cccc(CNc3c[nH]nc3C(N)=O)c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
AURKA O14965 3/20 0.48
RPS6KB1 P23443 3/20 0.48
AURKB Q96GD4 2/20 0.48
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PDPK1 O15530 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 2/20 0.46
HIF1A Q16665 2/20 0.46
POLB P06746 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3820934 0.95 MAPT (0.56) MAPTUSP2GAAHTTAURKA
Trifluoroacetic Acid SCHEMBL2269900 0.92 MAPT (0.52) MAPTUSP2GAAHTTAURKA
Trifluoroacetic Acid SCHEMBL2267738 0.92 AURKA (0.55) MAPTUSP2GAAHTTAURKA
Trifluoroacetic Acid SCHEMBL2269640 0.91 AURKA (0.58) MAPTAURKARPS6KB1AURKBPDPK1
Trifluoroacetic Acid SCHEMBL2266500 0.91 HIF1A (0.52) AURKARPS6KB1AURKBTSHRPDPK1
Trifluoroacetic Acid SCHEMBL2266106 0.89 AURKA (0.50) MAPTAURKARPS6KB1AURKBPDPK1
SCHEMBL12298717 0.86 MAPT (0.58) MAPTUSP2GAAHTTAURKA
SCHEMBL3821817 0.86 AURKA (0.60) MAPTGAAHTTAURKARPS6KB1
SCHEMBL2268423 0.86 AURKA (0.50) MAPTUSP2GAAHTTAURKA
SCHEMBL3822840 0.85 AURKA (0.63) MAPTAURKARPS6KB1AURKBPDPK1

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 MAPT 2805/4885USP2 4528/4885GAA 2745/4885
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE CYP4B1, ADORA1, CYP1B1 MAPT 2843/4885USP2 4506/4885GAA 2790/4885
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 MAPT 2805/4885USP2 4528/4885GAA 2745/4885

“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.