SCHEMBL1534085

SCHEMBL1534085

CCC(CC)CC1(C(=O)Nc2ccccc2[S])CCCCC1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CETP P11597 15/20 0.76
MME P08473 4/20 0.42
P2RX7 Q99572 1/20 0.40

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
SCHEMBL14408429 0.89 CETP (0.77) CETPP2RX7
SCHEMBL18602182 0.86 CETP (1.00) CETPMME
SCHEMBL29352140 0.86 CETP (1.00) CETPMME
SCHEMBL527973 0.86 CETP (1.00) CETPMME
Hydrogen Sulfide SCHEMBL28096222 0.85 CETP (0.97) CETPMME
SCHEMBL29352194 0.84 CETP (0.81) CETP
SCHEMBL2705151 0.84 CETP (0.81) CETPMME
SCHEMBL529503 0.84 CETP (0.81) CETP
SCHEMBL14643008 0.83 CETP (0.79) CETPMME
SCHEMBL18011036 0.82 CETP (0.78) CETPMME

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-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

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 1/4885MME 1843/4885P2RX7 4614/4885
US-20040229957-A1 cholesterol ester transfer protein inhibitors, new type of a preventive or therapeutic agent for atherosclerosis or hyperlipidemia CETP, MTTP, LCAT CETP 1/4885MME 671/4885P2RX7 4776/4885
US-20030092708-A1 Anticholesterol agents; cardiovascular disorders; antilipemic agents CETP, CES1, PON1 CETP 1/4885MME 466/4885P2RX7 4604/4885
US-20130053417-A1 CETP ACTIVITY INHIBITORS CETP, PCSK9, LCAT CETP 1/4885MME 205/4885P2RX7 2630/4885
US-20100197736-A1 CETP ACTIVITY INHIBITORS CETP, MTTP, CES1 CETP 1/4885MME 755/4885P2RX7 3573/4885

“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.