SCHEMBL1534064

SCHEMBL1534064

c1cnc(Nc2ccccc2SSc2ccccc2Nc2ncccn2)nc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.42
MEN1 O00255 1/20 0.42
MAPK10 P53779 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
PTK2 Q05397 1/20 0.40
CETP P11597 2/20 0.38
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
PLAT P00750 1/20 0.37
KLK1 P06870 1/20 0.37
PRSS1 P07477 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
EHMT1 Q9H9B1 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
EGFR P00533 1/20 0.37
KDR P35968 1/20 0.36
ACHE P22303 1/20 0.36
AURKA O14965 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
SCHEMBL3265738 0.82 MEN1 (0.58) PLAUMEN1MAPK10GFERKMT2A
SCHEMBL22468050 0.73 KDM4E (0.56) PTK2
SCHEMBL8401982 0.72 MAPK10 (0.55) PLAUMEN1MAPK10GFERKMT2A
SCHEMBL3951907 0.72 AURKA (0.56) PLAUMEN1MAPK10GFERKMT2A
SCHEMBL3956226 0.72 TSHR (0.62) MEN1KMT2APTK2AURKA
SCHEMBL13533951 0.72 MAPT (0.56) PLAUMEN1MAPK10GFERKMT2A
SCHEMBL3950995 0.72 HTT (0.56) MAPK10GFERKMT2APTK2KDR
SCHEMBL1081978 0.71 MAPT (0.54) MEN1KMT2ACETP
SCHEMBL24181811 0.71 PTK2 (0.41) PLAUMEN1KMT2APTK2F2
SCHEMBL27703626 0.69 AURKA (0.49) PLAUMEN1MAPK10GFERKMT2A

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 12 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-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-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 (3 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 PLAU 1212/4885MEN1 4682/4885MAPK10 3229/4885
US-20130053417-A1 CETP ACTIVITY INHIBITORS CETP, PCSK9, LCAT PLAU 377/4885MEN1 3545/4885MAPK10 3748/4885
US-20100197736-A1 CETP ACTIVITY INHIBITORS CETP, MTTP, CES1 PLAU 1289/4885MEN1 4714/4885MAPK10 4025/4885

“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.