SCHEMBL6503440

SCHEMBL6503440

Cc1ccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)sc2-c2ccncc2)cc1C

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.76
PTGS2 P35354 14/20 0.71
PTGS1 P23219 1/20 0.46

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
SCHEMBL6504016 0.87 MAPK14 (0.81) MAPK14PTGS2
SCHEMBL6280887 0.86 MAPK14 (1.00) MAPK14PTGS2PTGS1
SCHEMBL6280814 0.85 MAPK14 (0.55) MAPK14PTGS2
SCHEMBL7844433 0.84 PTGS2 (0.80) MAPK14PTGS2
SCHEMBL6503233 0.83 PTGS2 (0.78) MAPK14PTGS2PTGS1
SCHEMBL7841916 0.83 PTGS2 (1.00) MAPK14PTGS2PTGS1
SCHEMBL6508524 0.83 PTGS2 (1.00) MAPK14PTGS2PTGS1
SCHEMBL7843526 0.82 PTGS2 (0.78) MAPK14PTGS2PTGS1
SCHEMBL6503358 0.82 PTGS2 (0.78) MAPK14PTGS2PTGS1
SCHEMBL6505328 0.81 MAPK14 (0.51) MAPK14PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP 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 (2 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 MAPK14 50/4885PTGS2 57/4885PTGS1 9/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 MAPK14 29/4885PTGS2 109/4885PTGS1 78/4885

“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.