SCHEMBL6315419

SCHEMBL6315419

COc1ccc(-c2nc(CC(=O)N(C)O)oc2-c2ccccc2S(N)(=O)=O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.44
PTGS1 P23219 8/20 0.44
NR4A2 P43354 3/20 0.42
RXRA P19793 1/20 0.40
F10 P00742 4/20 0.40
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR4A1 P22736 1/20 0.35
NR4A3 Q92570 1/20 0.35
PRKCZ Q05513 1/20 0.35

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
SCHEMBL6310277 0.92 RXRA (0.47) PTGS2PTGS1NR4A2RXRAF10
SCHEMBL6309069 0.91 NR4A2 (0.49) PTGS2PTGS1NR4A2RXRAF10
SCHEMBL6308551 0.90 RXRA (0.44) PTGS2PTGS1NR4A2RXRAF10
SCHEMBL6315005 0.88 PTGS2 (0.45) PTGS2PTGS1RXRAF10ALOX5AP
SCHEMBL8549844 0.87 PTGS2 (0.52) PTGS2PTGS1RXRAF10ALOX5AP
SCHEMBL6309782 0.87 NR4A2 (0.49) NR4A2RXRAF10NR4A1NR4A3
SCHEMBL6315591 0.86 PTGS2 (0.44) PTGS2PTGS1RXRAF10ALOX5AP
SCHEMBL6309186 0.86 NR4A2 (0.50) PTGS2PTGS1NR4A2RXRAF10
SCHEMBL6315415 0.86 PTGS2 (0.50) PTGS2PTGS1NR4A2
SCHEMBL6310451 0.86 NR4A2 (0.50) PTGS2PTGS1NR4A2RXRANR4A1

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-6875785-B2 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors PHARMACIA CORPORATION (US) 2005-04-05 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-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 (6 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 10/4885NR4A2 1403/4885
US-20030119886-A1 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX12, ALOX15 PTGS2 7/4885PTGS1 10/4885NR4A2 1403/4885
US-20020058810-A1 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX12, ALOX15 PTGS2 7/4885PTGS1 10/4885NR4A2 1403/4885
US-20010056189-A1 Pyrazole substituted hydroxamic acid derivatives as cyclooxxgenase-2 and 5- lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 PTGS2 6/4885PTGS1 10/4885NR4A2 939/4885
US-20030176708-A1 Thiophene substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 PTGS2 5/4885PTGS1 8/4885NR4A2 1133/4885
US-20020055525-A1 Thiophene substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 PTGS2 5/4885PTGS1 8/4885NR4A2 1133/4885

“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.