SCHEMBL6503358

SCHEMBL6503358

COc1ccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)sc2-c2ccncc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.78
MAPK14 Q16539 2/20 0.67
PTGS1 P23219 1/20 0.51
TEK Q02763 1/20 0.50
ALOX5 P09917 1/20 0.47

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
SCHEMBL7843526 1.00 PTGS2 (0.78) PTGS2MAPK14PTGS1TEKALOX5
SCHEMBL7844066 0.88 PTGS2 (0.59) PTGS2MAPK14ALOX5
SCHEMBL7833473 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7844433 0.88 PTGS2 (0.80) PTGS2MAPK14
SCHEMBL7841916 0.86 PTGS2 (1.00) PTGS2MAPK14PTGS1
SCHEMBL6508524 0.86 PTGS2 (1.00) PTGS2MAPK14PTGS1
SCHEMBL6503233 0.86 PTGS2 (0.78) PTGS2MAPK14PTGS1
SCHEMBL6282411 0.84 PTGS2 (0.57) PTGS2MAPK14ALOX5
SCHEMBL6504016 0.83 MAPK14 (0.81) PTGS2MAPK14
SCHEMBL7832730 0.83 PPARD (0.56) PTGS2MAPK14PTGS1

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 PTGS2 57/4885MAPK14 50/4885PTGS1 9/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 PTGS2 109/4885MAPK14 29/4885PTGS1 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.