SCHEMBL7702499

SCHEMBL7702499

CC(C)(C)c1cc(/C=C2\SC(=S)N(N)C2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 2/20 0.70
PTGS2 P35354 8/20 0.57
PTGS1 P23219 8/20 0.54
ALOX5 P09917 1/20 0.54
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
EEF2K O00418 1/20 0.47
SRC P12931 1/20 0.47

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
SCHEMBL7702501 1.00 NAT1 (0.70) NAT1PTGS2PTGS1ALOX5MEN1
SCHEMBL8532901 0.86 NAT1 (0.58) NAT1MEN1ALDH1A1GAAKMT2A
SCHEMBL8532902 0.86 NAT1 (0.58) NAT1MEN1ALDH1A1GAAKMT2A
SCHEMBL7246589 0.85 NAT1 (0.69) NAT1PTGS2PTGS1ALOX5MEN1
SCHEMBL7246592 0.85 NAT1 (0.69) NAT1PTGS2PTGS1ALOX5MEN1
SCHEMBL8198993 0.85 NAT1 (0.69) NAT1PTGS2PTGS1ALOX5MEN1
SCHEMBL8534268 0.82 PTGS2 (0.55) NAT1PTGS2PTGS1ALOX5MEN1
SCHEMBL8534273 0.82 PTGS2 (0.55) NAT1PTGS2PTGS1ALOX5MEN1
SCHEMBL8933323 0.80 PTGS2 (0.56) NAT1PTGS2PTGS1ALOX5MEN1
SCHEMBL8895510 0.80 PTGS2 (0.56) NAT1PTGS2PTGS1ALOX5MEN1

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 9 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
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
EP-0434394-A2 Compounds for treating inflammatory bowel disease ELI LILLY AND COMPANY (US) 1991-06-26 EP disclosed