SCHEMBL1534074

SCHEMBL1534074

CCC(CC)CC1(C(=O)Cl)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CETP P11597 7/20 0.48
CYP2C19 P33261 1/20 0.35
MME P08473 2/20 0.31

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
SCHEMBL810162 0.82 CETP (0.49) CETPCYP2C19MME
SCHEMBL727220 0.82 CYP2C19 (0.50) CETPCYP2C19MME
SCHEMBL2702660 0.82 CETP (0.39) CETPMME
SCHEMBL9971636 0.81 CETP (0.48) CETPCYP2C19MME
SCHEMBL781736 0.81 CETP (0.48) CETPCYP2C19MME
SCHEMBL9974581 0.81 CETP (0.48) CETPCYP2C19MME
SCHEMBL2203045 0.79 CETP (0.47) CETPCYP2C19MME
SCHEMBL9972631 0.78 CETP (0.47) CETPCYP2C19MME
SCHEMBL1421653 0.78 CETP (0.49) CETPCYP2C19MME
SCHEMBL11291533 0.77 CYP2C19 (0.41) CETPCYP2C19MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9603816-B2 Process HOFFMANN-LA ROCHE INC. (US) 2017-03-28 US disclosed
CN-103261155-B Method by the hydrogenation preparation aromatic mercaptans derivant of disulphide 霍夫曼-拉罗奇有限公司 2016-08-10 CN disclosed
EP-2448918-B1 PREPARATION AND CRYSTALLISATION OF S-[2-[1-(2-ETHYLBUTYL)CYCLOHEXYLCARBONYLAMINO]-PHENYL]-2-METHYLTHIOPROPIONATE HOFFMANN LA ROCHE (CH) 2016-08-03 EP disclosed
US-9000045-B2 CETP activity inhibitors JAPAN TOBACCO INC. (JP) 2015-04-07 US disclosed
US-8765989-B2 Process HOFFMANN - LA ROCHE INC. (US) 2014-07-01 US disclosed
US-8765989-B2 Process HOFFMANN - LA ROCHE INC. (US) 2014-07-01 US disclosed
US-20140171502-A1 New Process HOFFMANN-LA ROCHE INC. (US) 2014-06-19 US disclosed
US-8664403-B2 Process HOFFMANN-LA ROCHE INC. (US) 2014-03-04 US disclosed
US-20130079541-A1 NOVEL PROCESS HOFFMANN-LA ROCHE INC. (US) 2013-03-28 US disclosed
US-20130079541-A1 NOVEL PROCESS HOFFMANN-LA ROCHE INC. (US) 2013-03-28 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
WO-2007051714-A1 NOVEL PROCESS FOR THE PREPARATION OF ACID CHLORIDES F. HOFFMANN-LA ROCHE AG (CH) 2007-05-10 WO disclosed
US-20070100154-A1 Process for the production of acid chlorides F. HOFFMANN-LA ROCHE AG (CH) 2007-05-03 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-20040229957-A1 cholesterol ester transfer protein inhibitors, new type of a preventive or therapeutic agent for atherosclerosis or hyperlipidemia CETP, MTTP, LCAT CETP 1/4885CYP2C19 2459/4885MME 671/4885
US-20030092708-A1 Anticholesterol agents; cardiovascular disorders; antilipemic agents CETP, CES1, PON1 CETP 1/4885CYP2C19 1065/4885MME 466/4885
US-20140171502-A1 New Process CYP3A4, TPMT, CYP4B1 CETP 313/4885CYP2C19 95/4885MME 191/4885
US-20130079541-A1 NOVEL PROCESS CYP3A4, CYP4B1, CYP11B2 CETP 448/4885CYP2C19 122/4885MME 579/4885
US-20070100154-A1 Process for the production of acid chlorides CLIC1, ACAD9, ASIC1 CETP 3007/4885CYP2C19 56/4885MME 3852/4885

“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.