SCHEMBL6314971

SCHEMBL6314971

CS(=O)(=O)c1ccc(-c2coc(CCCC(=O)NO)c2-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.46
MMP9 P14780 3/20 0.46
MMP1 P03956 2/20 0.44
MMP3 P08254 2/20 0.44
MMP7 P09237 2/20 0.44
MMP13 P45452 2/20 0.44
MMP14 P50281 2/20 0.44
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44
ADAM17 P78536 1/20 0.44
MEP1B Q16820 1/20 0.44
HDAC1 Q13547 7/20 0.43
PTGS2 P35354 6/20 0.43
HDAC2 Q92769 5/20 0.43
HDAC8 Q9BY41 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ALOX5 P09917 1/20 0.39

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
SCHEMBL6314974 0.85 HDAC1 (0.41) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6307836 0.81 MEP1B (0.46) MMP1MEP1BHDAC1PTGS2HDAC2
SCHEMBL6309243 0.80 PTGS2 (0.44) PTGS2
SCHEMBL6308529 0.76 PTGS2 (0.43) PTGS2ALOX5
SCHEMBL6310917 0.75 PTGS2 (0.39) PTGS2
SCHEMBL6314880 0.74 PTGS2 (0.45) PTGS2ALOX5
SCHEMBL6307838 0.73 HDAC1 (0.39) MMP2MMP9MEP1BHDAC1PTGS2
SCHEMBL30003695 0.72 PTGS2 (0.58) PTGS2
SCHEMBL6050734 0.72 PTGS2 (0.58) PTGS2ALOX5
SCHEMBL8604251 0.70 PTGS2 (0.48) PTGS2

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-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-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-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 MMP2 307/4885MMP9 181/4885MMP1 390/4885
US-20030119886-A1 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX12, ALOX15 MMP2 307/4885MMP9 181/4885MMP1 390/4885
US-20040248943-A9 Pyrazole substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 MMP2 319/4885MMP9 241/4885MMP1 331/4885
US-20030073722-A1 Pyrazole substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 MMP2 319/4885MMP9 241/4885MMP1 331/4885
US-20010056189-A1 Pyrazole substituted hydroxamic acid derivatives as cyclooxxgenase-2 and 5- lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 MMP2 277/4885MMP9 175/4885MMP1 303/4885
US-20030176708-A1 Thiophene substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 MMP2 349/4885MMP9 239/4885MMP1 347/4885
US-20020055525-A1 Thiophene substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 MMP2 349/4885MMP9 239/4885MMP1 347/4885

“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.