SCHEMBL5094239

SCHEMBL5094239

CS(=O)(=O)c1ccc(-c2oc(CO)cc(=O)c2Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.72
PTGS1 P23219 5/20 0.59

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
SCHEMBL5100944 0.89 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL5094179 0.88 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL1376506 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6585919 0.83 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL6580323 0.83 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL6973897 0.83 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL5094145 0.83 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL5107053 0.81 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5097621 0.78 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5100507 0.77 PTGS2 (0.71) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263751-B1 2-PHENYLPYRAN-4-ONE DERIVATIVES ALMIRALL PRODESFARMA AG (CH) 2004-06-16 EP claimed
US-20030232880-A1 2-Phenylpyran-4-one derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2003-12-18 US claimed
US-7354936-B2 2-phenylpyran-4-one derivatives ALMIRALL AG (CH) 2008-04-08 US disclosed
EP-1263751-B1 2-PHENYLPYRAN-4-ONE DERIVATIVES ALMIRALL PRODESFARMA AG (CH) 2004-06-16 EP disclosed
US-20030232880-A1 2-Phenylpyran-4-one derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2003-12-18 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-20030232880-A1 2-Phenylpyran-4-one derivatives CYP3A4, UGT1A4, CYP4B1 PTGS2 103/4885PTGS1 113/4885

“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.