SCHEMBL531844

SCHEMBL531844

CON(C)[C@@H](Cc1ccccc1)C(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.48
CTSK P43235 4/20 0.48
CTSB P07858 3/20 0.48
CTSL P07711 2/20 0.48
ATM Q13315 1/20 0.47
ACE P12821 1/20 0.44
AKT1 P31749 3/20 0.43
KLK5 Q9Y337 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 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
SCHEMBL6344379 0.83 CTSS (0.39) CTSSCTSKCTSBCTSLATM
SCHEMBL9409854 0.80 KIF11 (0.42)
SCHEMBL15413442 0.78 JAK3 (0.37) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2732000 0.78 TDP1 (0.35) CTSSCTSKCTSBCTSLCA12
SCHEMBL4420857 0.78 ATM (0.55) CTSSCTSKCTSBCTSLATM
SCHEMBL13731820 0.76 CTSS (0.58) CTSSCTSKCTSBCTSLATM
SCHEMBL15021100 0.76 CTSS (0.58) CTSSCTSKCTSBCTSLATM
SCHEMBL7401688 0.76 CTSL (0.41) CTSSCTSKCTSBCTSLCA12
SCHEMBL12204041 0.74 NPY5R (0.55) CTSSCTSKCTSBCTSLATM
SCHEMBL7269259 0.74 EPHX1 (0.47)

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 14 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-9029406-B2 N-carboxyalkylauristatins and use thereof SEATTLE GENETICS, INC (US) 2015-05-12 US disclosed
EP-2686336-B1 N-CARBOXYALKYL-AURISTATINS AND USE THEREOF SEATTLE GENETICS INC (US) 2015-05-06 EP 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-20140080763-A1 N-CARBOXYALKYLAURISTATINS AND USE THEREOF SEATTLE GENETICS, INC. (US) 2014-03-20 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-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
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
EP-1765793-A1 CETP INHIBITORS Merck and Co., Inc. (US) 2007-03-28 EP disclosed
US-20060040999-A1 CETP inhibitors MERCK SHARP & DOHME LLC 2006-02-23 US disclosed
WO-2006014413-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 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 (6 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 CTSS 336/4885CTSK 318/4885CTSB 299/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP CTSS 336/4885CTSK 318/4885CTSB 299/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP CTSS 336/4885CTSK 318/4885CTSB 299/4885
US-20140080763-A1 N-CARBOXYALKYLAURISTATINS AND USE THEREOF HGFAC, HGF, MET CTSS 1454/4885CTSK 1730/4885CTSB 1382/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP CTSS 336/4885CTSK 318/4885CTSB 299/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP CTSS 336/4885CTSK 318/4885CTSB 299/4885

“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.