SCHEMBL5115667

SCHEMBL5115667

CCC(CC#N)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.57
CTSK P43235 14/20 0.57
CTSL P07711 2/20 0.48
CTSB P07858 2/20 0.48
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
SYK P43405 1/20 0.42

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
SCHEMBL1722314 1.00 CTSS (0.57) CTSSCTSKCTSLCTSBCA1
SCHEMBL12602587 0.87 CTSK (0.59) CTSSCTSKCTSLCTSBCA1
SCHEMBL4795008 0.87 CTSS (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL4795003 0.87 CTSS (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL8357414 0.84 CTSK (0.61) CTSSCTSK
SCHEMBL7855743 0.84 CTSS (0.55) CTSSCTSKCTSLCTSBCA1
SCHEMBL9697740 0.84 CTSS (0.52) CTSSCTSKCTSLCTSBSYK
SCHEMBL31086524 0.84 CYP2D6 (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL16839646 0.84 SYK (0.48) CTSSCTSKCTSLCTSBCA1
SCHEMBL29254679 0.84 CTSS (0.51) CTSSCTSKCTSLCTSB

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-20080269284-A1 Compounds and Methods for Treating Dyslipidemia ELI LILLY AND COMPANY (US) 2008-10-30 US disclosed
EP-1761521-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2007-03-14 EP disclosed
EP-1425270-B1 METHODS AND INTERMEDIATES FOR PREPARING 4-AMINOQUINOLINE CETP INHIBITORS PFIZER PROD INC (US) 2006-03-29 EP disclosed
WO-2006012093-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-02-02 WO disclosed
EP-1383734-B1 COMPOUNDS USEFUL AS INTERMEDIATES FOR 4-AMINOQUINOLINE DERIVATIVES PFIZER PROD INC (US) 2006-02-01 EP disclosed
EP-1425270-A2 METHODS AND INTERMEDIATES FOR PREPARING 4-AMINOQUINOLINE CETP INHIBITORS Pfizer Products Inc. (US) 2004-06-09 EP disclosed
US-6706881-B2 4-(METHOXYCARBONYL-AMINO)-2-ETHYL-6-TRIFLUOROMETHYL-3,4-DIHYDRO -2H-QUINOLINE-1-CARBOXYLIC ACID ETHYL ESTER IS REACTED WITH 3,5-BIS(TRIFLUOROMETHYL)BENZYL HALIDE IN BASE; ALKYLATION PFIZER, INC. 2004-03-16 US disclosed
US-6689897-B2 CHOLESTERYL ESTER TRANSFER PROTEIN PFIZER INC. 2004-02-10 US disclosed
WO-2002088069-A9 COMPOUNDS USEFUL AS INTERMEDIATES FOR 4-AMINOQUINOLINE DERIVATIVES PFIZER PROD INC (US) 2003-12-04 WO disclosed
US-20030216576-A1 Methods for preparing CETP inhibitors PFIZER INC. 2003-11-20 US disclosed
US-6600045-B2 This invention relates to methods for preparing certain cholesteryl ester transfer protein (CETP) inhibitors and intermediates useful in the preparation of said CETP inhibitors. PFIZER INC. 2003-07-29 US disclosed
US-20030073843-A1 Methods for preparing CETP inhibitors DAMON DAVID B (US) 2003-04-17 US disclosed
US-20020177716-A1 Intermediates of CETP inhibitors DAMON DAVID B (US) 2002-11-28 US disclosed
WO-2002088085-A2 METHODS AND INTERMEDIATES FOR PREPARING 4-AMINOQUINOLINE CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2002-11-07 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 (4 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-20030216576-A1 Methods for preparing CETP inhibitors CETP, LCAT, MTTP CTSS 400/4885CTSK 570/4885CTSL 272/4885
US-20030073843-A1 Methods for preparing CETP inhibitors CETP, LCAT, MTTP CTSS 400/4885CTSK 570/4885CTSL 272/4885
US-20020177716-A1 Intermediates of CETP inhibitors CETP, LCAT, MTTP CTSS 379/4885CTSK 362/4885CTSL 464/4885
US-20080269284-A1 Compounds and Methods for Treating Dyslipidemia APOB, PCSK9, LIPC CTSS 2337/4885CTSK 2003/4885CTSL 2175/4885

“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.