SCHEMBL1534097

SCHEMBL1534097

COc1ccc(SC(=O)N(C)C)c(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
THRB P10828 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
MCL1 Q07820 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
SCN2A Q99250 1/20 0.39
CYP3A4 P08684 2/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.37
IKBKB O14920 1/20 0.36

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
SCHEMBL3484162 0.81 CPS1 (0.43) ALDH1A1MEN1KMT2AGAARAB9A
SCHEMBL3483627 0.81 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8087032 0.79 KDM4E (0.57) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9221122 0.79 KDM4E (0.50) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL3605144 0.78 NCEH1 (0.39) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1534101 0.77 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7799940 0.76 KDM4E (0.50) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL4803409 0.76 TRIM24 (0.51) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11074664 0.75 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6522405 0.74 ALDH1A1 (0.59) ALDH1A1MAPTMEN1THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000045-B2 CETP activity inhibitors JAPAN TOBACCO INC. (JP) 2015-04-07 US disclosed
US-20130053417-A1 CETP ACTIVITY INHIBITORS JAPAN TOBACCO INC. (JP) 2013-02-28 US disclosed
EP-2292596-A2 CETP activity inhibitor Japan Tobacco, Inc. (JP) 2011-03-09 EP disclosed
US-20100197736-A1 CETP ACTIVITY INHIBITORS JAPAN TOBACCO INC. (JP) 2010-08-05 US disclosed
US-7579379-B2 bis-[2-(pivaloylamino)phenyl]disulfide; cholesteryl ester transfer protein (CETP); atherosclerosis, hyperlipidemia JAPAN TOBACCO INC. (JP) 2009-08-25 US disclosed
US-20080027109-A1 bis-[2-(pivaloylamino)phenyl]disulfide; cholesteryl ester transfer protein (CETP); atherosclerosis, hyperlipidemia JAPAN TOBACCO INC. (JP) 2008-01-31 US disclosed
US-7271196-B2 cholesterol ester transfer protein inhibitors, new type of a preventive or therapeutic agent for atherosclerosis or hyperlipidemia JAPAN TABACCO INC. (JP) 2007-09-18 US disclosed
EP-1710231-A1 CETP activity inhibitors Japan Tobacco, Inc. (JP) 2006-10-11 EP disclosed
EP-1020439-B1 CETP ACTIVITY INHIBITORS JAPAN TOBACCO INC (JP) 2006-08-30 EP disclosed
US-20040229957-A1 cholesterol ester transfer protein inhibitors, new type of a preventive or therapeutic agent for atherosclerosis or hyperlipidemia JAPAN TOBACCO INC. (JP) 2004-11-18 US disclosed
US-6753346-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS JAPAN TOBACCO INC. (JP) 2004-06-22 US disclosed
US-20030092708-A1 Anticholesterol agents; cardiovascular disorders; antilipemic agents JAPAN TOBACCO, INC., A JAPAN CORPORATION 2003-05-15 US disclosed
US-6426365-B1 Anticholesterol agents; Cholesterol ester transfer protein (CETP); including dalcetrapib, S-(2-(((1-(2-ethylbutyl)cyclohexyl)carbonyl)amino) phenyl) 2-methylpropanethioate JAPAN TOBACCO INC. (JP) 2002-07-30 US disclosed
EP-1020439-A1 CETP ACTIVITY INHIBITORS JAPAN TOBACCO INC. (JP) 2000-07-19 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 (5 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-20080027109-A1 bis-[2-(pivaloylamino)phenyl]disulfide; cholesteryl ester transfer protein (CETP); atherosclerosis, hyperlipidemia CETP, MTTP, APOB ALDH1A1 4347/4885MAPT 3471/4885MEN1 4777/4885
US-20040229957-A1 cholesterol ester transfer protein inhibitors, new type of a preventive or therapeutic agent for atherosclerosis or hyperlipidemia CETP, MTTP, LCAT ALDH1A1 3123/4885MAPT 3061/4885MEN1 4682/4885
US-20030092708-A1 Anticholesterol agents; cardiovascular disorders; antilipemic agents CETP, CES1, PON1 ALDH1A1 2188/4885MAPT 4177/4885MEN1 4510/4885
US-20130053417-A1 CETP ACTIVITY INHIBITORS CETP, PCSK9, LCAT ALDH1A1 4071/4885MAPT 2721/4885MEN1 3545/4885
US-20100197736-A1 CETP ACTIVITY INHIBITORS CETP, MTTP, CES1 ALDH1A1 3804/4885MAPT 4207/4885MEN1 4714/4885

“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.