SCHEMBL6314914

SCHEMBL6314914

Cc1ccc(-c2cc(CCC(=O)N(C)O)nn2-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.69
CA9 Q16790 9/20 0.69
CA1 P00915 8/20 0.69
CA2 P00918 8/20 0.69
ALOX5 P09917 2/20 0.61
PDPK1 O15530 2/20 0.55
CYP2C9 P11712 2/20 0.55
PTGS1 P23219 2/20 0.55
PTGES O14684 1/20 0.55
HDAC3 O15379 1/20 0.55
CA12 O43570 1/20 0.55
PDE5A O76074 1/20 0.55
ABCB11 O95342 1/20 0.55
MT-CO2 P00403 1/20 0.55
LMNA P02545 1/20 0.55
CA3 P07451 1/20 0.55
CYP3A4 P08684 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CYP2D6 P10635 1/20 0.55
ADRB3 P13945 1/20 0.55

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
SCHEMBL6315033 0.94 PTGS2 (0.66) PTGS2CA9CA1CA2ALOX5
SCHEMBL6310403 0.91 PTGS2 (0.74) PTGS2CA9CA1CA2ALOX5
SCHEMBL6309336 0.91 CHRNA7 (0.60) PTGS2CA9CA1CA2ALOX5
SCHEMBL6314316 0.91 CA9 (0.70) PTGS2CA9CA1CA2ALOX5
SCHEMBL6315620 0.88 PTGS2 (0.54) PTGS2CA9CA1CA2ALOX5
SCHEMBL6308826 0.88 PTGS2 (0.58) PTGS2CA9CA1CA2ALOX5
SCHEMBL14351136 0.88 PTGS2 (0.74) PTGS2CA9CA1CA2ALOX5
Hydrochloric Acid SCHEMBL3845095 0.87 PTGS2 (0.72) PTGS2CA9CA1CA2ALOX5
SCHEMBL9941629 0.86 CA9 (0.69) PTGS2CA9CA1CA2ALOX5
SCHEMBL6309492 0.85 PTGS2 (0.66) PTGS2CA9CA1CA2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6875785-B2 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors PHARMACIA CORPORATION (US) 2005-04-05 US disclosed
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-20030119886-A1 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors PHARMACIA CORPORATION 2003-06-26 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
EP-0828718-A1 HETEROCYCLO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1998-03-18 EP disclosed
WO-1996038418-A1 HETEROCYCLO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1996-12-05 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 (8 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 7/4885CA9 1997/4885CA1 1781/4885
US-20030119886-A1 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX12, ALOX15 PTGS2 7/4885CA9 1997/4885CA1 1781/4885
US-20020058810-A1 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX12, ALOX15 PTGS2 7/4885CA9 1997/4885CA1 1781/4885
US-20040248943-A9 Pyrazole substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 PTGS2 5/4885CA9 2946/4885CA1 2343/4885
US-20030073722-A1 Pyrazole substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 PTGS2 5/4885CA9 2946/4885CA1 2343/4885
US-20010056189-A1 Pyrazole substituted hydroxamic acid derivatives as cyclooxxgenase-2 and 5- lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 PTGS2 6/4885CA9 2024/4885CA1 1759/4885
US-20030176708-A1 Thiophene substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 PTGS2 5/4885CA9 1961/4885CA1 1995/4885
US-20020055525-A1 Thiophene substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 PTGS2 5/4885CA9 1961/4885CA1 1995/4885

“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.