SCHEMBL6315103

SCHEMBL6315103

CN(O)C(=S)SCC=Cc1nc(-c2ccc(F)c(Cl)c2)c(-c2ccc(S(N)(=O)=O)cc2)o1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.38
PTGS1 P23219 13/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SOS1 Q07889 3/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL6308237 0.90 PTGS2 (0.39) PTGS2PTGS1MEN1KMT2ACA2
SCHEMBL6307505 0.90 PTGS2 (0.39) PTGS2PTGS1MEN1KMT2ACA2
SCHEMBL6307551 0.90 PTGS2 (0.43) PTGS2PTGS1MEN1KMT2A
SCHEMBL6316719 0.88 PTGS2 (0.51) PTGS2PTGS1CA2CA12CA1
SCHEMBL8606429 0.88 PTGS2 (0.41) PTGS2PTGS1CA2CA1CA9
SCHEMBL6309181 0.87 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6315409 0.86 NR4A2 (0.46) PTGS2PTGS1MEN1KMT2ACA2
SCHEMBL6307771 0.84 PTGS1 (0.41) PTGS2PTGS1MEN1KMT2ASOS1
SCHEMBL6308731 0.83 PTGS2 (0.38) PTGS2PTGS1CA2CA12CA1
SCHEMBL6309707 0.82 PTGS2 (0.39) 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 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 claimed
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-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 (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 10/4885MEN1 4834/4885
US-20030119886-A1 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX12, ALOX15 PTGS2 7/4885PTGS1 10/4885MEN1 4834/4885
US-20020058810-A1 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX12, ALOX15 PTGS2 7/4885PTGS1 10/4885MEN1 4834/4885
US-20040248943-A9 Pyrazole substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 PTGS2 5/4885PTGS1 9/4885MEN1 4866/4885
US-20030073722-A1 Pyrazole substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 PTGS2 5/4885PTGS1 9/4885MEN1 4866/4885
US-20010056189-A1 Pyrazole substituted hydroxamic acid derivatives as cyclooxxgenase-2 and 5- lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 PTGS2 6/4885PTGS1 10/4885MEN1 4873/4885
US-20030176708-A1 Thiophene substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 PTGS2 5/4885PTGS1 8/4885MEN1 4880/4885

“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.