SCHEMBL2799072

SCHEMBL2799072

COc1ccc(-c2c(Cl)cnn2-c2ccc(S(N)(=O)=O)cc2)cc1F

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.65
PTGS1 P23219 17/20 0.65
ABCB11 O95342 1/20 0.58
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL6344192 0.90 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL6353503 0.87 PTGS2 (0.62) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL6432346 0.82 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6343036 0.82 PTGS2 (0.71) PTGS2PTGS1ALDH1A1
SCHEMBL6342793 0.81 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL14029024 0.79 PTGS2 (0.41) PTGS2PTGS1ABCB11ALDH1A1
Cimicoxib SCHEMBL3123310 0.79 PTGS2 (1.00) PTGS2PTGS1
Cimicoxib SCHEMBL29386198 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6344515 0.78 PTGS2 (0.76) PTGS2PTGS1ABCB11
SCHEMBL3245704 0.78 PTGS2 (0.80) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9724362-B2 Pharmaceutical compositions comprising nanoparticles and a resuspending material BEND RESEARCH, INC. (US) 2017-08-08 US disclosed
US-8974827-B2 Nanoparticles comprising a non-ionizable cellulosic polymer and an amphiphilic non-ionizable block copolymer BEND RESEARCH, INC. (US) 2015-03-10 US disclosed
US-20100323014-A1 NANOPARTICLES COMPRISING A NON-IONIZABLE CELLULOSIC POLYMER AND AN AMPHIPHILIC NON-IONIZABLE BLOCK COPOLYMER PFIZER INC. 2010-12-23 US disclosed
US-20100310663-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NANOPARTICLES AND A RESUSPENDING MATERIAL LONZA BEND INC. 2010-12-09 US disclosed
US-20100266692-A1 NANOPARTICLES COMPRISING A NON-IONIZABLE POLYMER AND AN ANIONIC CELLULOSIC POLYMER BEND RESEARCH, INC. 2010-10-21 US disclosed
US-20100215747-A1 NANOPARTICLES COMPRISING IONIZABLE, POORLY WATER SOLUBLE CELLULOSIC POLYMERS BEND RESEARCH, INC. 2010-08-26 US disclosed
US-20100080852-A1 PHAMACEUTICAL COMPOSITION COMPRISING NANOPARTICLES AND CASEIN BEND RESEARCH, INC. 2010-04-01 US disclosed
US-20080260817-A1 Compositions for the Treatment of Inflammation and Pain Using a Combination of a Cox-2 Selective Inhibitor and a Ltb4 Receptor Antagonist PFIZER INC. 2008-10-23 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-20100323014-A1 NANOPARTICLES COMPRISING A NON-IONIZABLE CELLULOSIC POLYMER AND AN AMPHIPHILIC NON-IONIZABLE BLOCK COPOLYMER LRBA, CEL, TNNC1 PTGS2 3985/4885PTGS1 4155/4885ABCB11 269/4885
US-20100266692-A1 NANOPARTICLES COMPRISING A NON-IONIZABLE POLYMER AND AN ANIONIC CELLULOSIC POLYMER CEL, TNNC1, MGAM PTGS2 3620/4885PTGS1 3610/4885ABCB11 413/4885
US-20100215747-A1 NANOPARTICLES COMPRISING IONIZABLE, POORLY WATER SOLUBLE CELLULOSIC POLYMERS CEL, GYS1, TNNC1 PTGS2 3826/4885PTGS1 3919/4885ABCB11 561/4885
US-20100310663-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NANOPARTICLES AND A RESUSPENDING MATERIAL SUCLG2, SORD, ACMSD PTGS2 2751/4885PTGS1 1909/4885ABCB11 73/4885
US-20080260817-A1 Compositions for the Treatment of Inflammation and Pain Using a Combination of a Cox-2 Selective Inhibitor and a Ltb4 Receptor Antagonist LTB4R2, LTB4R, LTC4S PTGS2 12/4885PTGS1 21/4885ABCB11 3626/4885
US-20100080852-A1 PHAMACEUTICAL COMPOSITION COMPRISING NANOPARTICLES AND CASEIN PACSIN2, CSNK1A1, CSNK1G1 PTGS2 3446/4885PTGS1 2711/4885ABCB11 104/4885

“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.