SCHEMBL1534061

SCHEMBL1534061

CC(C)(C)C(=O)Nc1ccccc1SS

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.75
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.43
ALOX12 P18054 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PDK1 Q15118 2/20 0.41
PDK2 Q15119 2/20 0.41
PDK3 Q15120 2/20 0.41
PDK4 Q16654 2/20 0.41

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
SCHEMBL992825 0.86 CETP (1.00) CETPL3MBTL1KDM4EALOX12LMNA
SCHEMBL12841121 0.85 CETP (0.73) CETPL3MBTL1KDM4EALOX12LMNA
SCHEMBL9574421 0.83 CETP (0.51) CETPL3MBTL1MEN1KMT2ARAB9A
SCHEMBL13212562 0.83 CETP (0.75) CETPL3MBTL1KDM4EALOX12LMNA
SCHEMBL9746129 0.83 CETP (0.75) CETPL3MBTL1KDM4EALOX12LMNA
SCHEMBL13212420 0.81 CETP (0.73) CETPL3MBTL1KDM4EALOX12LMNA
SCHEMBL5706504 0.81 CETP (0.71) CETPL3MBTL1KDM4EALOX12LMNA
SCHEMBL1534076 0.80 ALDH1A1 (0.55) CETPPOLBMEN1KMT2ARAB9A
SCHEMBL23987377 0.79 CETP (0.69) CETPL3MBTL1KDM4EALOX12LMNA
SCHEMBL1534122 0.79 CETP (0.84) CETPL3MBTL1LMNAPOLBMEN1

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 20 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
EP-0336937-B1 PHOTOGRAPHIC SILVER HALIDE ELEMENT AND PROCESS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1993-10-13 EP disclosed
US-5155016-A Silver halide color photographic material containing novel pyrazoloazole coupler and method to produce color image FUJI PHOTO FILM CO., LTD. (JP) 1992-10-13 US disclosed
EP-0336937-A4 PHOTOGRAPHIC SILVER HALIDE ELEMENT AND PROCESS. EASTMAN KODAK CO (US) 1990-04-10 EP disclosed
EP-0336937-A1 PHOTOGRAPHIC SILVER HALIDE ELEMENT AND PROCESS. EASTMAN KODAK CO (US) 1989-10-18 EP disclosed
US-4853319-A Photographic silver halide element and process EASTMAN KODAK COMPANY (US) 1989-08-01 US disclosed
WO-1988004795-A1 PHOTOGRAPHIC SILVER HALIDE ELEMENT AND PROCESS EASTMAN KODAK COMPANY (US) 1988-06-30 WO 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 CETP 1/4885L3MBTL1 1184/4885KDM4E 2520/4885
US-20040229957-A1 cholesterol ester transfer protein inhibitors, new type of a preventive or therapeutic agent for atherosclerosis or hyperlipidemia CETP, MTTP, LCAT CETP 1/4885L3MBTL1 832/4885KDM4E 2930/4885
US-20030092708-A1 Anticholesterol agents; cardiovascular disorders; antilipemic agents CETP, CES1, PON1 CETP 1/4885L3MBTL1 501/4885KDM4E 2364/4885
US-20130053417-A1 CETP ACTIVITY INHIBITORS CETP, PCSK9, LCAT CETP 1/4885L3MBTL1 1808/4885KDM4E 1677/4885
US-20100197736-A1 CETP ACTIVITY INHIBITORS CETP, MTTP, CES1 CETP 1/4885L3MBTL1 1480/4885KDM4E 1726/4885

“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.