SCHEMBL3263476

SCHEMBL3263476

CC(C)(C)c1cc(C=C2SCNC2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.64
PTGS1 P23219 7/20 0.64
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
GAA P10253 1/20 0.52
ALOX5 P09917 1/20 0.51
EEF2K O00418 1/20 0.50
SRC P12931 1/20 0.50

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
SCHEMBL3263474 1.00 PTGS2 (0.64) PTGS2PTGS1CYP1A2CYP2C9GAA
SCHEMBL8536501 0.92 PTGS2 (0.55) PTGS2PTGS1CYP1A2CYP2C9GAA
SCHEMBL8536499 0.92 PTGS2 (0.55) PTGS2PTGS1CYP1A2CYP2C9GAA
SCHEMBL8822313 0.86 PTGS2 (0.61) PTGS2PTGS1CYP1A2CYP2C9GAA
SCHEMBL8822308 0.86 PTGS2 (0.61) PTGS2PTGS1CYP1A2CYP2C9GAA
SCHEMBL8532799 0.85 PTGS2 (0.50) PTGS2PTGS1GAA
SCHEMBL8532801 0.85 PTGS2 (0.50) PTGS2PTGS1GAA
SCHEMBL9473753 0.81 PTGS2 (0.43) PTGS2PTGS1CYP1A2CYP2C9GAA
SCHEMBL9684863 0.80 GAA (0.56) PTGS2PTGS1CYP1A2CYP2C9GAA
SCHEMBL8991939 0.80 PTGS2 (0.44) PTGS2PTGS1CYP1A2CYP2C9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 claimed
JP-6048943-A None JP disclosed
US-20100234402-A1 METHODS AND COMPOSITIONS FOR TREATING SPINAL MUSCULAR ATROPHY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2010-09-16 US disclosed
US-20060286167-A1 Compositions and methods for the treatment of neurodegenerative diseases STAUNTON JANE 2006-12-21 US disclosed
US-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases COMBINATORX, INC. 2006-11-30 US disclosed
WO-2006119295-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES COMBINATORX, INCORPORATED (US) 2006-11-09 WO disclosed
WO-2006119329-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES COMBINATORX, INCORPORATED (US) 2006-11-09 WO disclosed
EP-0434394-B1 Compounds for treating inflammatory bowel disease LILLY CO ELI (US) 1998-08-05 EP disclosed
US-5691367-A ANTIINFLAMMATORY AGENTS OR ANTIARTHRITIC AGENTS ELI LILLY AND COMPANY (US) 1997-11-25 US disclosed
JP-H0648943-A THERAPEUTIC MEDICINE FOR I-TYPE DIABETES UNIV COLORADO FOUND INC 1994-02-22 JP disclosed
US-5216002-A Using benzyl substituted rhodanine derivatives as pure enantiomeric form ELI LILLY AND COMPANY (US) 1993-06-01 US disclosed
EP-0525197-A1 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOG SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-02-03 EP 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
EP-0211670-B1 DI-T-BUTYLPHENOL COMPOUNDS ELI LILLY AND COMPANY (US) 1990-05-09 EP disclosed
EP-0211670-A2 Di-t-butylphenol compounds ELI LILLY AND COMPANY (US) 1987-02-25 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 (1 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-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases PSEN2, PSEN1, HTT PTGS2 2815/4885PTGS1 3325/4885CYP1A2 4301/4885

“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.