SCHEMBL7700501

SCHEMBL7700501

CC(=O)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
SCHEMBL7700500 1.00 PTGS2 (0.52) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8784131 0.90 PTGS2 (0.50) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8784134 0.90 PTGS2 (0.50) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8897231 0.90 PTGS2 (0.52) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8992117 0.90 PTGS2 (0.52) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL9304376 0.89 PTGS2 (0.51) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL9304372 0.89 PTGS2 (0.51) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8779600 0.83 PTGS2 (0.53) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8779594 0.83 PTGS2 (0.53) PTGS2PTGS1CYP1A2CYP2C9ALOX5
SCHEMBL8532777 0.83 PTGS2 (0.56) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420428-B1 TREATING HEPATITIS C AND HEPATIC FIBROSIS USING 2,6-DI-TERT-BUTYLPHENOL DERIVATIVES; EFFECTIVE IN SUBJECTS WITH INTERFERON INSUSCEPTIBILITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-07-16 US disclosed
US-6369097-B1 Treatment and prevention of hepatic disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-04-09 US disclosed
US-6348493-B1 TREATMENT OF HEPATITIS C BY ADMINISTERING 2,6-DI-TER-BUTYLPHENOL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-02-19 US disclosed
US-6218437-B1 ADMINISTERING A THERAPEUTIC AMOUNT OF DI-TERT-BUTYLPHENOL DERIVATIVE TO SUBJECT UNDER CONDITIONS SUCH THAT SAID SYMPTOMS ARE DIMINISHED THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-04-17 US disclosed
WO-2001021166-A1 TREATMENT AND PREVENTION OF HEPATIC DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-03-29 WO disclosed
EP-0434394-B1 Compounds for treating inflammatory bowel disease LILLY CO ELI (US) 1998-08-05 EP disclosed
US-5731336-A USING ARYL-SUBSTITUTED RHODAMINES ELI LILLY AND COMPANY (US) 1998-03-24 US disclosed
US-5691367-A ANTIINFLAMMATORY AGENTS OR ANTIARTHRITIC AGENTS ELI LILLY AND COMPANY (US) 1997-11-25 US disclosed
EP-0722729-A2 Aryl-substituted rhodanines for treating multiple sclerosis ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed
US-5356917-A Antiischemic, antiinflammatory, antiarthritic agents, treat-ment of dystrophic mammals ELI LILLY AND COMPANY (US) 1994-10-18 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