SCHEMBL3175665

SCHEMBL3175665

COSc1ccc(O)c(C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.66
CSNK2A1 P68400 1/20 0.52
PTGS2 P35354 3/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
ALOX5 P09917 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MEN1 O00255 2/20 0.47
KDR P35968 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TNF P01375 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSPD1 P10809 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
SCHEMBL10372129 0.86 ALDH1A1 (0.50) MCL1CA1CA2CA12CA7
SCHEMBL11201624 0.84 ALDH1A1 (0.48) MCL1CA1CA2CA12CA7
SCHEMBL10372975 0.81 LCK (0.51) MCL1CA1CA2CA12CA7
SCHEMBL27854523 0.79 MCL1 (0.67) MCL1CSNK2A1PTGS2CA1CA2
SCHEMBL3187695 0.79 MCL1 (1.00) MCL1CSNK2A1PTGS2CA1CA2
SCHEMBL29623237 0.79 MCL1 (0.71) MCL1CSNK2A1PTGS2CA1CA2
SCHEMBL341888 0.79 MCL1 (0.71) MCL1CSNK2A1PTGS2CA1CA2
SCHEMBL739200 0.79 MCL1 (0.71) MCL1CSNK2A1PTGS2CA1CA2
SCHEMBL10373933 0.77 ALDH1A1 (0.57) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6715410 0.77 MCL1 (0.69) MCL1CSNK2A1PTGS2CA1CA2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4539412-A ANTITUMOR AGENTS RENSSELAER POLYTECHNIC INSTITUTE (US) 1985-09-03 US claimed
US-7671195-B2 Process for preparing dibenzothiazepine compounds ASTRAZENECA UK LIMITED (GB) 2010-03-02 US disclosed
EP-1996568-A2 PROCESS FOR PREPARING DIBENZOTHIAZEPINE COMPOUNDS AstraZeneca UK Limited (GB) 2008-12-03 EP disclosed
US-7314930-B2 Process for preparing dibenzothiazepine derivatives UBE INDUSTRIES, LTD. (JP) 2008-01-01 US disclosed
WO-2007102352-A2 PROCESS FOR PREPARING DIBENZOTHIAZEPINE COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2007-09-13 WO disclosed
US-20070203336-A1 Process for preparing dibenzothiazepine compounds ASTRAZENECA UK LIMITED (GB) 2007-08-30 US disclosed
US-20060173178-A1 Process for preparing dibenzothiazepine derivatives UBE INDUSTRIES, LTD. (JP) 2006-08-03 US disclosed
US-7045621-B1 Process for producing dibenzothiazepine derivatives UBE INDUSTRIES, LTD. (JP) 2006-05-16 US disclosed
EP-1201663-A1 PROCESS FOR PRODUCING DIBENZOTHIAZEPINE DERIVATIVES Ube Industries, Ltd. (JP) 2002-05-02 EP disclosed
EP-0187487-B1 BENZOTHIOPHENES AND BENZOFURANS HAVING ANTIALLERGIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1990-08-29 EP disclosed
US-4703053-A Benzothiophenes and benzofurans and antiallergic use thereof WARNER-LAMBERT COMPANY (US) 1987-10-27 US disclosed
EP-0187487-A1 Benzothiophenes and benzofurans having antiallergic activity WARNER-LAMBERT COMPANY (US) 1986-07-16 EP disclosed
US-4539412-A ANTITUMOR AGENTS RENSSELAER POLYTECHNIC INSTITUTE (US) 1985-09-03 US 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 (2 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-20060173178-A1 Process for preparing dibenzothiazepine derivatives TPMT, BBOX1, NISCH MCL1 1327/4885CSNK2A1 596/4885PTGS2 77/4885
US-20070203336-A1 Process for preparing dibenzothiazepine compounds TST, ADH1C, ADH5 MCL1 2602/4885CSNK2A1 404/4885PTGS2 13/4885

“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.