SCHEMBL6742789

SCHEMBL6742789

COc1ccc(-c2noc(CN(O)C(N)=O)c2-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.47
PTGS1 P23219 1/20 0.47
PDE3A Q14432 1/20 0.47
F10 P00742 3/20 0.43
SCN9A Q15858 1/20 0.42
F2 P00734 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
SCHEMBL6309134 0.89 PTGS2 (0.48) PTGS2PTGS1F10F2
SCHEMBL6309033 0.87 PTGS2 (0.43) PTGS2PTGS1F10F2
SCHEMBL6309213 0.87 PTGS2 (0.43) PTGS2PTGS1F10F2
SCHEMBL6307489 0.86 PTGS2 (0.45) PTGS2PTGS1F10F2
SCHEMBL6309190 0.86 PTGS2 (0.45) PTGS2PTGS1F10F2
SCHEMBL6742785 0.84 PTGS2 (0.56) PTGS2PTGS1PDE3A
SCHEMBL6316334 0.82 PTGS2 (0.42) PTGS2PTGS1F10F2
SCHEMBL6309262 0.80 RAB9A (0.44) PTGS2
SCHEMBL6308003 0.80 PTGS2 (0.42) PTGS2PTGS1F10F2
Methane SCHEMBL6316095 0.80 PTGS2 (0.46) PTGS2PTGS1PDE3AF10SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248943-A9 Pyrazole substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors PHARMACIA CORPORATION 2004-12-09 US disclosed
US-6753344-B2 SULFONYL OR SULFONAMIDE SUBSTITUTED BENZENE DERIVATIVE CONTAINING HYDROXYUREA GROUP; USEFUL AS ANTIINFLAMMATORY AGENT PHARMACIA CORPORATION 2004-06-22 US disclosed
US-6696477-B2 AS ANTIINFLAMMATORY AGENTS PHARMACIA CORPORATION 2004-02-24 US disclosed
US-20030176708-A1 Thiophene substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors PHARMACIA CORPORATION 2003-09-18 US disclosed
US-20030073722-A1 Pyrazole substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors PHARMACIA CORPORATION 2003-04-17 US disclosed
US-6515014-B2 Aminosulfonyl- or alkylsulfonylphenyl-heterocyclylalkylhydroxyamic acid or hydroxyurea derivatives; treating asthma and arthritis G. D. SEARLE & CO. 2003-02-04 US disclosed
US-6512121-B2 Non-steroidal antiinflammatory agent; enzyme sub-type specific; inhibits prostaglandin and/or leukotriene production G.D. SEARLE & CO. 2003-01-28 US disclosed
US-6432999-B2 ANTIINFLAMMATORY AGENTS; ANTIASTHMATIC AGENTS; ANTIPYRETICS; ANALGESICS; ANTIARTHRITIC AGENTS; ANTIISCHEMIC AGENTS PHARMACIA CORPORATION 2002-08-13 US disclosed
US-20020058810-A1 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors PHARMACIA CORPORATION 2002-05-16 US disclosed
US-20020055525-A1 Thiophene substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors TALLEY JOHN J (US) 2002-05-09 US disclosed
US-20020028945-A1 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors TALLEY JOHN J (US) 2002-03-07 US disclosed
US-20010056189-A1 Pyrazole substituted hydroxamic acid derivatives as cyclooxxgenase-2 and 5- lipoxygenase inhibitors TALLEY JOHN J (US) 2001-12-27 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 (7 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-20020028945-A1 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX12, ALOX15 PTGS2 7/4885PTGS1 10/4885PDE3A 1561/4885
US-20020058810-A1 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX12, ALOX15 PTGS2 7/4885PTGS1 10/4885PDE3A 1561/4885
US-20040248943-A9 Pyrazole substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 PTGS2 5/4885PTGS1 9/4885PDE3A 1193/4885
US-20030073722-A1 Pyrazole substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 PTGS2 5/4885PTGS1 9/4885PDE3A 1193/4885
US-20010056189-A1 Pyrazole substituted hydroxamic acid derivatives as cyclooxxgenase-2 and 5- lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 PTGS2 6/4885PTGS1 10/4885PDE3A 1239/4885
US-20030176708-A1 Thiophene substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 PTGS2 5/4885PTGS1 8/4885PDE3A 1856/4885
US-20020055525-A1 Thiophene substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 PTGS2 5/4885PTGS1 8/4885PDE3A 1856/4885

“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.