SCHEMBL6969701

SCHEMBL6969701

Cc1cc(=O)c(-c2ccc(Cl)c(Cl)c2)c(-c2ccc(S(N)(=O)=O)cc2)o1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.80
PTGS1 P23219 4/20 0.80
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 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
SCHEMBL1377981 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6972308 0.83 PTGS2 (1.00) PTGS2PTGS1CA12CA1CA2
SCHEMBL6976478 0.83 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL6975956 0.82 PTGS2 (0.79) PTGS2PTGS1MAOAMAOB
SCHEMBL1376982 0.80 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL6973887 0.78 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL5708993 0.75 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL9261161 0.75 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL6971292 0.75 PTGS2 (0.65) PTGS2PTGS1MAOAMAOBCA12
SCHEMBL6967436 0.74 PTGS2 (0.77) 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
US-6518303-B2 Selectively inhibit COX-2 in preference to COX-1 and are useful in the treatment of COX-2 mediated diseases, such as inflammation, pain, fever and asthma with fewer side effects ALMIRALL PRODESFARMA S.A. (ES) 2003-02-11 US disclosed
EP-1115716-B1 2-PHENYLPYRAN-4-ONE DERIVATIVES ALMIRALL PRODESFARMA AG (CH) 2003-01-02 EP disclosed
US-20020045644-A1 2-phenylpyran-4-one derivatives LABORATORIES ALMIRALL, S.A. (ES) 2002-04-18 US disclosed
EP-1115716-A1 2-PHENYLPYRAN-4-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2001-07-18 EP disclosed
WO-2000018753-A1 2-PHENYLPYRAN-4-ONE DERIVATIVES ALMIRALL PRODESFARMA, S.A. (ES) 2000-04-06 WO 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-20020045644-A1 2-phenylpyran-4-one derivatives NR4A1, CYP3A4, HTR4 PTGS2 912/4885PTGS1 451/4885MAOA 1288/4885

“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.