SCHEMBL2789149

SCHEMBL2789149

O=C(O)c1cc(-c2ccccc2)ccc1S

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 4/20 0.63
HNF4A P41235 2/20 0.63
DHFR P00374 1/20 0.63
MCL1 Q07820 1/20 0.63
DCLRE1A Q6PJP8 1/20 0.61
DCLRE1B Q9H816 1/20 0.61
MAPT P10636 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
PTPN1 P18031 2/20 0.53
KMO O15229 1/20 0.52
IKBKB O14920 1/20 0.50
AKR1C2 P52895 3/20 0.49
AKR1C1 Q04828 3/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
GSTA1 P08263 1/20 0.49
CDC25B P30305 1/20 0.48
ATM Q13315 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GFER P55789 1/20 0.48

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
SCHEMBL2791080 0.85 ACMSD (0.68) ACMSDHNF4ADHFRMCL1DCLRE1A
SCHEMBL2789147 0.85 BCL2L1 (0.52) ACMSDHNF4ADHFRMCL1DCLRE1A
SCHEMBL30616786 0.81 ACMSD (0.70) ACMSDHNF4ADHFRMCL1DCLRE1A
SCHEMBL68982 0.81 ACMSD (0.70) ACMSDHNF4ADHFRMCL1DCLRE1A
SCHEMBL2789084 0.80 AKR1C2 (0.57) ACMSDHNF4ADHFRMCL1DCLRE1A
Hydrochloric Acid SCHEMBL11162468 0.79 ACMSD (0.68) ACMSDHNF4ADHFRMCL1DCLRE1A
Methane SCHEMBL29008389 0.79 ACMSD (0.68) ACMSDHNF4ADHFRMCL1DCLRE1A
SCHEMBL21879680 0.79 ACMSD (0.68) ACMSDHNF4ADHFRMCL1DCLRE1A
Water SCHEMBL29008379 0.79 ACMSD (0.68) ACMSDHNF4ADHFRMCL1DCLRE1A
SCHEMBL23143193 0.78 ACMSD (1.00) ACMSDHNF4ADHFRMCL1GSTA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152455-A1 ORGANOMETALIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2010-06-17 US disclosed
CN-1872846-B Method of preparing 2-benzothiazepines derivative UBE INDUSTRIES 2010-06-16 CN disclosed
US-7671195-B2 Process for preparing dibenzothiazepine compounds ASTRAZENECA UK LIMITED (GB) 2010-03-02 US disclosed
CN-100577653-C Process for preparing dibenzothiazepine  derivatives UBE INDUSTRIES 2010-01-06 CN disclosed
EP-2092040-A1 ORGANOMETALIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMIESCENT DEVICE USING THE SAME Gracel Display Inc. (KR) 2009-08-26 EP disclosed
EP-2080795-A1 Electroluminescent device using electroluminescent compounds Gracel Display Inc. (KR) 2009-07-22 EP disclosed
US-20090165860-A1 Electroluminescent device using electroluminescent compounds GRACEL DISPLAY INC. (KR) 2009-07-02 US disclosed
US-20090165860-A1 Electroluminescent device using electroluminescent compounds GRACEL DISPLAY INC. (KR) 2009-07-02 US disclosed
US-20090078317-A1 Organometalic compounds for electroluminescence and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-03-26 US disclosed
US-20090078317-A1 Organometalic compounds for electroluminescence and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-03-26 US 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
CN-1872846-A Method of preparing 2-benzothiazepines derivative UBE INDUSTRIES (JP) 2006-12-06 CN disclosed
US-20060173178-A1 Process for preparing dibenzothiazepine derivatives UBE INDUSTRIES, LTD. (JP) 2006-08-03 US disclosed
CN-1810792-A Process for preparing dibenzothiazepine * derivatives UBE INDUSTRIES (JP) 2006-08-02 CN disclosed
US-7045621-B1 Process for producing dibenzothiazepine derivatives UBE INDUSTRIES, LTD. (JP) 2006-05-16 US disclosed
CN-1247556-C Process for preparing dibenzothiazepine * derivatives UBE INDUSTRIES (JP) 2006-03-29 CN disclosed
CN-1367782-A Process for preparing dibenzothiazepine * derivatives UBE INDUSTRIES (JP) 2002-09-04 CN disclosed
EP-1201663-A1 PROCESS FOR PRODUCING DIBENZOTHIAZEPINE DERIVATIVES Ube Industries, Ltd. (JP) 2002-05-02 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 (4 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 ACMSD 128/4885HNF4A 2148/4885DHFR 55/4885
US-20100152455-A1 ORGANOMETALIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME EPCAM, ORC3, L1CAM ACMSD 1361/4885HNF4A 2030/4885DHFR 2390/4885
US-20090078317-A1 Organometalic compounds for electroluminescence and organic electroluminescent device using the same OCIAD1, L1CAM, OCIAD2 ACMSD 283/4885HNF4A 1687/4885DHFR 3589/4885
US-20070203336-A1 Process for preparing dibenzothiazepine compounds TST, ADH1C, ADH5 ACMSD 4/4885HNF4A 2669/4885DHFR 163/4885

“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.