SCHEMBL8095110

SCHEMBL8095110

C[C@H](NC(=O)OCc1ccccc1)C(=O)c1cn(C)cn1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
CTSK P43235 4/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
ELANE P08246 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.45
PREP P48147 2/20 0.44
PRTN3 P24158 1/20 0.44
CTRB1 P17538 2/20 0.43

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
SCHEMBL18681384 0.84 ATM (0.45) ATMCTSKCTSLCTSBCTSS
SCHEMBL7863246 0.80 ATM (0.50) ATMCTSKCTSLCTSBCTSS
SCHEMBL20647911 0.79 TDP1 (0.50) LMNAKMT2A
SCHEMBL8087046 0.76 KDM4C (0.54) ATMCTSKCTSLCTSBCTSS
SCHEMBL30946598 0.75 CTSK (0.61) ATMCTSKCTSLCTSBCTSS
SCHEMBL241565 0.75 CTSK (0.61) ATMCTSKCTSLCTSBCTSS
SCHEMBL15080869 0.75 CTSK (0.61) ATMCTSKCTSLCTSBCTSS
SCHEMBL241564 0.75 CTSK (0.61) ATMCTSKCTSLCTSBCTSS
SCHEMBL856196 0.75 CTSK (0.61) ATMCTSKCTSLCTSBCTSS
SCHEMBL27752931 0.74 POLB (0.57) ATMCTSKCTSLCTSBCTSS

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-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
EP-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 EP disclosed
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed
US-20100273835-A1 NOVEL COMPOUNDS PROBIODRUG AG (DE) 2010-10-28 US disclosed
US-20100273835-A1 NOVEL COMPOUNDS PROBIODRUG AG (DE) 2010-10-28 US disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 US disclosed
US-7652049-B2 1-benzyl-4-[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]imidazolidin-2-one; cholesteryl ester transfer protein inhibitor; raising HDL-cholesterol, reducing LDL-cholesterol; atherosclerosis; antiinflammatory agent; synergistic mixture with other active ingredients MERCK & CO., INC. (US) 2010-01-26 US disclosed
WO-2009007415-A2 NOVEL COMPOUNDS PROBIODRUG AG (DE) 2009-01-15 WO disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP ATM 1904/4885CTSK 318/4885CTSL 608/4885
US-20100273835-A1 NOVEL COMPOUNDS IL6, PREP, PEPD ATM 4796/4885CTSK 118/4885CTSL 23/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP ATM 1904/4885CTSK 318/4885CTSL 608/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP ATM 1904/4885CTSK 318/4885CTSL 608/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP ATM 1904/4885CTSK 318/4885CTSL 608/4885

“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.