SCHEMBL6315978

SCHEMBL6315978

COc1ccc(-c2nc(-c3[nH]nnc3CSC(=S)N(C)O)oc2-c2ccc(S(N)(=O)=O)cc2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.40
PTGS1 P23219 11/20 0.40
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HMOX1 P09601 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6310924 0.92 PTGS2 (0.42) PTGS2PTGS1CA1CA2ALDH1A1
SCHEMBL6314767 0.91 PTGS2 (0.35) PTGS2PTGS1CA1CA2MAOA
SCHEMBL6316015 0.89 CA1 (0.38) PTGS2PTGS1CA1CA2
SCHEMBL6309460 0.89 MAOB (0.38) PTGS2PTGS1CA1CA2MAOA
SCHEMBL6306765 0.89 MAOB (0.38) PTGS2PTGS1CA1CA2MAOA
SCHEMBL6307672 0.87 PTGS2 (0.42) PTGS2PTGS1CA1CA2MAOA
SCHEMBL6307812 0.86 PTGS2 (0.39) PTGS2PTGS1CA1CA2MAOA
SCHEMBL6314634 0.86 PTGS2 (0.39) PTGS2PTGS1CA1CA2MAOA
SCHEMBL6310353 0.86 PTGS2 (0.46) PTGS2PTGS1CA1CA2MAOA
SCHEMBL6927581 0.85 PTGS2 (0.40) PTGS2PTGS1CA1CA2MAOA

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 9 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-6696477-B2 AS ANTIINFLAMMATORY AGENTS PHARMACIA CORPORATION 2004-02-24 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-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 (5 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 10/4885CA1 1781/4885
US-20030119886-A1 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX12, ALOX15 PTGS2 7/4885PTGS1 10/4885CA1 1781/4885
US-20020058810-A1 Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX12, ALOX15 PTGS2 7/4885PTGS1 10/4885CA1 1781/4885
US-20010056189-A1 Pyrazole substituted hydroxamic acid derivatives as cyclooxxgenase-2 and 5- lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 PTGS2 6/4885PTGS1 10/4885CA1 1759/4885
US-20020055525-A1 Thiophene substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors ALOX5, ALOX15, ALOX12 PTGS2 5/4885PTGS1 8/4885CA1 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.