SCHEMBL9183140

SCHEMBL9183140

CC(C)(C)c1cc(-c2nnc(C(N)=S)s2)cc(C(C)(C)C)c1O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 16/20 0.63
PTGS2 P35354 12/20 0.63
ALOX5 P09917 1/20 0.51
CA1 P00915 1/20 0.47
CA2 P00918 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
SCHEMBL9183798 0.85 PTGS1 (0.63) PTGS1PTGS2ALOX5CA1CA2
SCHEMBL9178087 0.81 PTGS1 (0.62) PTGS1PTGS2ALOX5CA1CA2
SCHEMBL9182409 0.79 PTGS1 (0.69) PTGS1PTGS2ALOX5CA1CA2
SCHEMBL9185074 0.78 PTGS1 (0.66) PTGS1PTGS2ALOX5CA1CA2
SCHEMBL9179869 0.78 PTGS1 (1.00) PTGS1PTGS2ALOX5CA1CA2
SCHEMBL9180604 0.76 PTGS1 (0.68) PTGS1PTGS2ALOX5CA1CA2
SCHEMBL9182212 0.75 PTGS1 (1.00) PTGS1PTGS2ALOX5CA1CA2
SCHEMBL9179313 0.74 PTGS1 (0.69) PTGS1PTGS2ALOX5CA1CA2
SCHEMBL9179851 0.74 PTGS1 (0.69) PTGS1PTGS2ALOX5
SCHEMBL9180823 0.73 PTGS1 (1.00) PTGS1PTGS2ALOX5CA1CA2

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
EP-0371438-B1 3,5-Di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxiphenyl- 1,2,4-thiadiazoles, -oxadiazoles as antiinflammatory agents WARNER LAMBERT CO (US) 1995-08-30 EP claimed
US-5155122-A Cyclooxygenase, lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1992-10-13 US claimed
EP-0371438-A2 3,5-Di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxiphenyl- 1,2,4-thiadiazoles, -oxadiazoles as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1990-06-06 EP claimed
EP-0371438-B1 3,5-Di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxiphenyl- 1,2,4-thiadiazoles, -oxadiazoles as antiinflammatory agents WARNER LAMBERT CO (US) 1995-08-30 EP disclosed
US-5376670-A 3,5-di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxyphenyl-1,2,4-thiadazoles, oxadiazoles and triazoles as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1994-12-27 US disclosed
US-5256680-A 3,5-di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxy-phenyl-1,2,4-thiadazoles, oxadiazoles and triazoles as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1993-10-26 US disclosed
US-5155122-A Cyclooxygenase, lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1992-10-13 US disclosed
EP-0371438-A2 3,5-Di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxiphenyl- 1,2,4-thiadiazoles, -oxadiazoles as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1990-06-06 EP disclosed