SCHEMBL2746044

SCHEMBL2746044

CN(C)N1CSC(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.52
PTGS1 P23219 8/20 0.52
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX5 P09917 2/20 0.47
EEF2K O00418 1/20 0.46
SRC P12931 1/20 0.46
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2746042 1.00 PTGS2 (0.52) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8991929 0.93 PTGS2 (0.45) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8894724 0.93 PTGS2 (0.45) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL6430738 0.91 PTGS2 (0.45) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL6430736 0.91 PTGS2 (0.45) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8933401 0.89 PTGS2 (0.49) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8895650 0.89 PTGS2 (0.49) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL7700018 0.88 PTGS2 (0.48) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL7700021 0.88 PTGS2 (0.48) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8532127 0.85 PTGS2 (0.46) PTGS2PTGS1CYP1A2CYP2C9ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054390-A1 Use of haptoglobin genotyping in diagnosis and treatment of intraplaque hemorrhage resulting from plaque rupture LEVY ANDREW 2009-02-26 US claimed
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases SHAPIRO HOWARD K 2008-09-25 US claimed
US-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases SECANT PHARMA, LLC 2005-04-28 US claimed
EP-0759750-A4 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1998-05-27 EP claimed
EP-0759750-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO, Howard, K. (US) 1997-03-05 EP claimed
WO-1996022772-A1 METHOD FOR TREATING MULTIPLE SCLEROSIS ELI LILLY AND COMPANY (US) 1996-08-01 WO claimed
EP-0722729-A2 Aryl-substituted rhodanines for treating multiple sclerosis ELI LILLY AND COMPANY (US) 1996-07-24 EP claimed
WO-1995031194-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1995-11-23 WO claimed
US-5356917-A Antiischemic, antiinflammatory, antiarthritic agents, treat-ment of dystrophic mammals ELI LILLY AND COMPANY (US) 1994-10-18 US claimed
US-5158966-A Aryl-substituted rhodanine derivatives THE UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-10-27 US claimed
WO-2014176460-A1 METHODS OF TREATING BEHAVIORIAL AND/OR MENTAL DISORDERS CHAU DAVID T (US) 2014-10-30 WO disclosed
WO-2013119825-A1 MODULATORS OF TOUSLED KINASE IN CELLULAR PROCESSES DE BENEDETTI ARRIGO (US) 2013-08-15 WO disclosed
US-8486922-B2 Composition CHEN CHIEN-HUNG (TW) 2013-07-16 US disclosed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US disclosed
US-8178516-B2 Composition of 4-guanidinobenzoic acid HCl, a co-agent suitable for systemic administration solely via the oral route, antioxidants, vitamins, metabolites Sylvan Labs, LLC (US) 2012-05-15 US disclosed
US-5216002-A Using benzyl substituted rhodanine derivatives as pure enantiomeric form ELI LILLY AND COMPANY (US) 1993-06-01 US disclosed
US-5158966-A Aryl-substituted rhodanine derivatives THE UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-10-27 US disclosed
EP-0500337-A1 Composition containing aryl-substituted rhodanine derivatives for the treatment of type I diabetes UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-08-26 EP disclosed
EP-0434394-A2 Compounds for treating inflammatory bowel disease ELI LILLY AND COMPANY (US) 1991-06-26 EP disclosed
EP-0391644-A2 Aryl-substituted rhodanine derivatives ELI LILLY AND COMPANY (US) 1990-10-10 EP 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 (3 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-20090054390-A1 Use of haptoglobin genotyping in diagnosis and treatment of intraplaque hemorrhage resulting from plaque rupture APOB, PPHLN1, SERPINC1 PTGS2 127/4885PTGS1 101/4885CYP1A2 1556/4885
US-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases PCCA, HMGB1, PTGES PTGS2 33/4885PTGS1 11/4885CYP1A2 338/4885
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases HMGB1, PCCA, QSOX1 PTGS2 30/4885PTGS1 8/4885CYP1A2 397/4885

“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.