Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2670992

COc1c(NC(=O)c2cc(C)cc(Oc3ccnc(C(=O)N4CCNCC4)n3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 9/20 0.43
BRAF P15056 10/20 0.42
MAPK14 Q16539 3/20 0.41
SRC P12931 2/20 0.41
SYK P43405 2/20 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
SCHEMBL1936477 0.96 GSK3A (0.46) GSK3ABRAFMAPK14SRCSYK
SCHEMBL2671344 0.87 GSK3A (0.43) GSK3ABRAFMAPK14SRCSYK
SCHEMBL1936510 0.85 MAPK14 (0.47) GSK3ABRAFMAPK14SRCSYK
SCHEMBL15062875 0.85 GSK3A (0.42) GSK3ABRAFMAPK14SRCSYK
SCHEMBL1935998 0.84 GSK3A (0.49) GSK3ABRAFMAPK14SRCSYK
SCHEMBL2671405 0.84 MAPK14 (0.47) GSK3ABRAFMAPK14SRCSYK
SCHEMBL2670994 0.83 MAPK14 (0.38) GSK3ABRAFMAPK14SRCSYK
SCHEMBL1936877 0.81 MAPK14 (0.49) GSK3ABRAFMAPK14SRCSYK
SCHEMBL1936512 0.80 MAPK14 (0.47) GSK3ABRAFMAPK14SRCSYK
SCHEMBL1935811 0.79 MAPK14 (0.47) GSK3ABRAFMAPK14SRCSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108572-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 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 (1 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-20120108572-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS HRH2, HRH1, HRH4 GSK3A 1638/4885BRAF 3298/4885MAPK14 2338/4885

“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.