Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2266280

COC(=O)c1n[nH]cc1NCc1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)c1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.46
BRAF P15056 3/20 0.46
KDR P35968 4/20 0.46
TEK Q02763 2/20 0.46
PDGFRB P09619 2/20 0.44
EPHB4 P54760 1/20 0.44
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
RXFP1 Q9HBX9 2/20 0.44
FLT3 P36888 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
NTRK1 P04629 1/20 0.43
RET P07949 1/20 0.43
LTK P29376 1/20 0.43
CDK8 P49336 1/20 0.43
NTRK3 Q16288 1/20 0.43
MAPK14 Q16539 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
SCHEMBL12296443 0.97 BRAF (0.48) RIPK1BRAFKDRTEKPDGFRB
Trifluoroacetic Acid SCHEMBL2268397 0.91 AURKA (0.48) RIPK1BRAFKDRTEKEPHB4
SCHEMBL16174969 0.91 RIPK1 (0.49) RIPK1BRAFKDRTEKEPHB4
Trifluoroacetic Acid SCHEMBL16174921 0.89 RIPK1 (0.45) RIPK1BRAFKDRTEKPDGFRB
SCHEMBL3817528 0.88 AURKA (0.50) RIPK1BRAFKDRTEKEPHB4
Hydrochloric Acid SCHEMBL2266121 0.87 AURKA (0.49) RIPK1BRAFKDRTEKEPHB4
Trifluoroacetic Acid SCHEMBL2269047 0.82 AURKA (0.47) RIPK1BRAFAURKBGRIK1
Trifluoroacetic Acid SCHEMBL2272491 0.82 KCNMA1 (0.57) KDRPDGFRBRXFP1AURKBKIT
SCHEMBL2265181 0.81 AURKA (0.50) BRAFKDRRXFP1FLT3AURKB
Trifluoroacetic Acid SCHEMBL2267560 0.81 AURKA (0.49) KDRPDGFRBRXFP1AURKBKIT

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 RIPK1 3363/4885BRAF 747/4885KDR 3964/4885
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE CYP4B1, ADORA1, CYP1B1 RIPK1 3339/4885BRAF 831/4885KDR 4006/4885
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 RIPK1 3363/4885BRAF 747/4885KDR 3964/4885

“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.