SCHEMBL2550935

SCHEMBL2550935

CCC(C)C(N)(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.36
CTSS P25774 5/20 0.36
DGAT1 O75907 1/20 0.34
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL18614254 0.84 CTSS (0.36) CTSKCTSSDGAT1MEN1GAA
SCHEMBL18614257 0.84 CTSS (0.36) CTSKCTSSDGAT1MEN1GAA
SCHEMBL4911367 0.83 DGAT1 (0.32) CTSKCTSSDGAT1CTSLCTSB
SCHEMBL4939145 0.83 DGAT1 (0.40) CTSKCTSSDGAT1CTSLCTSB
SCHEMBL28195825 0.83 DGAT1 (0.40) CTSKCTSSDGAT1CTSLCTSB
SCHEMBL9116850 0.83 DGAT1 (0.40) CTSKCTSSDGAT1CTSLCTSB
SCHEMBL27708714 0.82 CTSS (0.36) CTSKCTSSDGAT1MEN1GAA
SCHEMBL27718253 0.82 CTSS (0.36) CTSKCTSSDGAT1MEN1GAA
SCHEMBL27881348 0.81 TAS1R3 (0.32)
SCHEMBL4909430 0.81 DGAT1 (0.32) DGAT1MEN1GAAKMT2A

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-9029567-B2 Hypoglycemic compounds CADILA PHARMACEUTICALS LIMITED (IN) 2015-05-12 US disclosed
EP-2769978-A1 saxagliptin derivatives Cadila Pharmaceuticals Limited (IN) 2014-08-27 EP disclosed
US-20130150578-A1 NOVEL HYPOGLYCEMIC COMPOUNDS CADILA PHARMACEUTICALS LIMITED (IN) 2013-06-13 US disclosed
CN-101133060-B Enzyme inhibitors CHROMA THERAPEUTICS LTD 2013-06-05 CN disclosed
EP-2555617-A1 NOVEL HYPOGLYCEMIC COMPOUNDS Cadila Pharmaceuticals Limited (IN) 2013-02-13 EP disclosed
WO-2011125011-A1 NOVEL HYPOGLYCEMIC COMPOUNDS CADILA PHARMACEUTICALS LIMITED (IN) 2011-10-13 WO disclosed
CN-101133060-A Enzyme inhibitors CHROMA THERAPEUTICS LTD (GB) 2008-02-27 CN disclosed
EP-0932606-B1 INHIBITORS OF PRENYL TRANSFERASES SOD CONSEILS RECH APPLIC (FR) 2007-12-12 EP disclosed
EP-0932606-A4 INHIBITORS OF PRENYL TRANSFERASES BIOMEASURE INC (US) 2000-01-19 EP disclosed
EP-0932606-A1 INHIBITORS OF PRENYL TRANSFERASES Biomeasure Incorporated (US) 1999-08-04 EP disclosed
US-5773455-A Inhibitors of prenyl transferases BIOMEASURE, INCORPORATED (US) 1998-06-30 US disclosed
WO-1998000409-A1 INHIBITORS OF PRENYL TRANSFERASES BIOMEASURE INCORPORATED (US) 1998-01-08 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 (1 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-20130150578-A1 NOVEL HYPOGLYCEMIC COMPOUNDS GLP1R, GPR119, IAPP CTSK 3616/4885CTSS 3596/4885DGAT1 622/4885

“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.