SCHEMBL6906476

SCHEMBL6906476

NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3O)cc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.70
PTGS2 P35354 9/20 0.69
PTGS1 P23219 3/20 0.65
CHRNA7 P36544 2/20 0.62
PDPK1 O15530 1/20 0.60
CYP2C9 P11712 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
MAPK9 P45984 1/20 0.59

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
SCHEMBL8121914 0.92 MMP2 (0.83) MMP2PTGS2PTGS1CHRNA7PDPK1
SCHEMBL8112683 0.91 PTGS2 (0.69) MMP2PTGS2PTGS1CHRNA7PDPK1
SCHEMBL20042406 0.91 MMP2 (0.84) MMP2PTGS2PTGS1PDPK1CYP2C9
SCHEMBL8421818 0.90 PTGS2 (0.71) MMP2PTGS2PTGS1CHRNA7CYP2C9
SCHEMBL8120987 0.90 PTGS2 (0.67) MMP2PTGS2PTGS1CHRNA7PDPK1
SCHEMBL8111717 0.90 PTGS2 (0.67) MMP2PTGS2PTGS1CHRNA7PDPK1
SCHEMBL8122502 0.89 PTGS2 (0.69) MMP2PTGS2PTGS1CHRNA7PDPK1
SCHEMBL18180816 0.89 CYP2C9 (0.77) MMP2PTGS2PTGS1PDPK1CYP2C9
SCHEMBL20042405 0.89 MMP2 (0.70) MMP2PTGS2PTGS1CHRNA7PDPK1
SCHEMBL8125055 0.88 PTGS2 (0.62) MMP2PTGS2PTGS1CHRNA7PDPK1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097573-A1 Use of a COX-2 inhibitor and a NK-1 receptor antagonist for treating inflammation BOYCE SUSAN (GB) 2004-05-20 US claimed
US-11202773-B2 Locally bioavailable drugs UNIVERSITY OF HOUSTON SYSTEM (US) 2021-12-21 US disclosed
US-20180098965-A1 LOCALLY BIOAVAILABLE DRUGS UNIVERSITY OF HOUSTON SYSTEM (US) 2018-04-12 US disclosed
US-20180098965-A1 LOCALLY BIOAVAILABLE DRUGS UNIVERSITY OF HOUSTON SYSTEM (US) 2018-04-12 US disclosed
US-20040097573-A1 Use of a COX-2 inhibitor and a NK-1 receptor antagonist for treating inflammation BOYCE SUSAN (GB) 2004-05-20 US disclosed
EP-1058559-B1 COMBINATION OF A SELECTIVE NMDA NR2B ANTAGONIST AND A COX-2 INHIBITOR MERCK SHARP & DOHME (GB) 2004-05-12 EP disclosed
US-20030035795-A1 Methods for treating or reducing the risk of pain and inflammatory disorders by administering inhibitors of activated thrombin activatable fibrinolysis inhibitor GARDELL STEPHEN J (US) 2003-02-20 US disclosed
EP-1283723-A2 COMBINATION THERAPY USING COX-2 SELECTIVE INHIBITOR AND THROMBOXANE INHIBITOR AND COMPOSITIONS THEREFOR Merck Frosst Canada & Co. (CA) 2003-02-19 EP disclosed
US-6511968-B1 COX-2 inhibitor, or a pharmaceutically acceptable salt thereof, a therapeutically effective amount of aspirin; does not contain HMG-CoAreductase inhibitor MERCK & CO., INC. 2003-01-28 US disclosed
US-6440967-B1 Combination of a GABAA alpha 5 inverse agonist and COX-2 inhibitor, NSAID, estrogen or vitamin E MERCK & CO., INC. 2002-08-27 US disclosed
EP-1058559-A1 COMBINATION OF A SELECTIVE NMDA NR2B ANTAGONIST AND A COX-2 INHIBITOR MERCK SHARP & DOHME LTD. (GB) 2000-12-13 EP disclosed
US-6136804-A ANTIISCHEMIC AGENTS, ANTITHROMBOTIC AGENTS, THROMBOTIC OCCLUSION AND ANTIPLATELET AGENT MERCK & CO., INC. (US) 2000-10-24 US disclosed
EP-0731796-B1 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-08-02 EP disclosed
WO-2000027382-A2 COMBINATION OF A GABA-A ALPHA 5 INVERSE AGONIST AND COX-2 INHIBITOR, NSAID, ESTROGEN OR VITAMIN E MERCK & CO., INC. (US) 2000-05-18 WO disclosed
WO-2000018352-A2 A METHOD FOR TREATING INFLAMMATORY DISEASES BY ADMINISTERING A THROMBIN INHIBITOR MERCK & CO., INC. (US) 2000-04-06 WO disclosed
WO-1999059635-A1 USE OF A COX-2 INHIBITOR AND A NK-1 RECEPTOR ANTAGONIST FOR TREATING INFLAMMATION MERCK SHARP & DOHME LIMITED (GB) 1999-11-25 WO disclosed
WO-1999044640-A1 COMBINATION OF A SELECTIVE NMDA NR2B ANTAGONIST AND A COX-2 INHIBITOR MERCK SHARP & DOHME LIMITED (GB) 1999-09-10 WO disclosed
EP-0731796-A1 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP disclosed
US-5434178-A 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation G.D. SEARLE & CO. (US) 1995-07-18 US disclosed
WO-1995015318-A1 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-06-08 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 (4 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-20180098965-A1 LOCALLY BIOAVAILABLE DRUGS ABCG2, FABP1, FABP2 MMP2 1054/4885PTGS2 3366/4885PTGS1 3087/4885
US-20040097573-A1 Use of a COX-2 inhibitor and a NK-1 receptor antagonist for treating inflammation PTGS1, PTGS2, PTGES2 MMP2 1261/4885PTGS2 2/4885PTGS1 1/4885
US-20030035795-A1 Methods for treating or reducing the risk of pain and inflammatory disorders by administering inhibitors of activated thrombin activatable fibrinolysis inhibitor BPGM, PLG, FGB MMP2 483/4885PTGS2 372/4885PTGS1 206/4885
US-11202773-B2 Locally bioavailable drugs ABCG2, FABP1, FABP2 MMP2 1054/4885PTGS2 3366/4885PTGS1 3087/4885

“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.