Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4830239

CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc(C4CCNCC4)[nH]c3-c3ccc(F)cc3)cc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.80
CYP3A4 P08684 10/20 0.63

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
SCHEMBL4837413 0.89 MAPK14 (1.00) MAPK14CYP3A4
SCHEMBL5770988 0.88 MAPK14 (0.77) MAPK14CYP3A4
SCHEMBL5771615 0.87 MAPK14 (0.73) MAPK14CYP3A4
SCHEMBL5774372 0.86 MAPK14 (0.71) MAPK14CYP3A4
SCHEMBL4839213 0.84 MAPK14 (0.62) MAPK14CYP3A4
SCHEMBL5772433 0.83 MAPK14 (0.87) MAPK14CYP3A4
SCHEMBL5772014 0.81 MAPK14 (0.85) MAPK14CYP3A4
SCHEMBL5772786 0.81 MAPK14 (0.80) MAPK14CYP3A4
SCHEMBL5771391 0.80 MAPK14 (0.83) MAPK14CYP3A4
SCHEMBL5771793 0.80 MAPK14 (0.83) MAPK14CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 MAPK14 10/4885CYP3A4 2862/4885

“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.