SCHEMBL3172171

SCHEMBL3172171

Cc1cc(OCc2ccccc2)nc(-c2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 10/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ GHSR Q92847 1/20 0.45
▸ PTGER1 P34995 3/20 0.44
▸ SCD O00767 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 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
SCHEMBL13450969 0.85 PIK3CA (0.44) PTGS2PTGS1SCD
SCHEMBL10119816 0.81 GHSR (0.46) PTGS2PTGS1GHSR
SCHEMBL3151912 0.77 PTGS2 (0.62) PTGS2PTGS1HDAC6
SCHEMBL14002197 0.75 PTGS1 (0.50) PTGS2PTGS1
SCHEMBL3167177 0.74 PTGS2 (0.43) PTGS2PTGS1SCD
SCHEMBL3166726 0.74 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL15257358 0.73 PTGS2 (0.64) PTGS2PTGS1PTGER1
SCHEMBL13451114 0.73 PTGS2 (0.48) PTGS2PTGS1HDAC6
SCHEMBL13666252 0.73 GHSR (0.60) PTGS2GHSR
SCHEMBL13450400 0.72 PTGS2 (0.52) PTGS2PTGS1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546107-B1 COX-2 INHIBITING PYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2010-03-31 — — EP disclosed
US-7446117-B2 Cox-2 inhibiting pyridine derivatives GLAXO GROUP LIMITED (GB) 2008-11-04 — — US disclosed
US-7446117-B2 Cox-2 inhibiting pyridine derivatives GLAXO GROUP LIMITED (GB) 2008-11-04 — — US disclosed
US-7446117-B2 Cox-2 inhibiting pyridine derivatives GLAXO GROUP LIMITED (GB) 2008-11-04 — — US disclosed
US-20060040988-A1 Cox-2 Inhibiting pyridine derivatives GLAXO GROUP LIMITED (GB) 2006-02-23 — — US disclosed
CN-1681788-A COX-2 inhibiting pyridine derivatives GLAXO GROUP LTD (GB) 2005-10-12 — — CN 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-20060040988-A1 Cox-2 Inhibiting pyridine derivatives PTGS2, PTGES2, PTGS1 PTGS2 1/4885PTGS1 3/4885GHSR 3950/4885

“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.

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