SCHEMBL12445599

SCHEMBL12445599

COC(=O)c1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.67
▸ CTSS P25774 8/20 0.67
▸ MMP8 P22894 1/20 0.54
▸ CTSB P07858 3/20 0.52
▸ CTSL P07711 1/20 0.52
▸ ATM Q13315 1/20 0.48
▸ PPARG P37231 4/20 0.47
▸ PPARA Q07869 4/20 0.47
▸ PPARD Q03181 2/20 0.47
▸ SCN9A Q15858 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA3 P07451 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CACNA1C Q13936 1/20 0.46
▸ CA9 Q16790 1/20 0.46

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
SCHEMBL12326853 1.00 CTSK (0.67) CTSKCTSSMMP8CTSBCTSL
SCHEMBL21582596 0.88 CTSK (0.68) CTSKCTSSCTSBCTSLATM
SCHEMBL5018959 0.86 CTSK (0.64) CTSKCTSSCTSBCTSLSCN9A
SCHEMBL26086719 0.85 CTSK (0.61) CTSKCTSSCTSLCA1CA2
SCHEMBL24073007 0.84 CA2 (0.48) CTSKCTSSCTSBCTSLPPARG
SCHEMBL25022184 0.84 CA2 (0.58) CTSKCTSSCA1CA2
SCHEMBL24073307 0.84 CA2 (0.58) CTSKCTSSCA1CA2
SCHEMBL25022193 0.82 CA2 (0.46) CTSKCTSSCTSBCTSLPPARG
SCHEMBL5564256 0.82 CTSS (0.75) CTSKCTSSCTSBCTSLPPARG
SCHEMBL3758017 0.82 CTSS (0.75) CTSKCTSSCTSBCTSLPPARG

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350020-B1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-08-13 — — EP disclosed
US-8361959-B2 Spiro-imidazolone derivatives as glucagon receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 — — US disclosed
US-8361959-B2 Spiro-imidazolone derivatives as glucagon receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 — — US disclosed
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME CORP. 2013-01-10 — — US disclosed
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME CORP. 2013-01-10 — — US disclosed
US-20110178007-A1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS SCHERING CORPORATION 2011-07-21 — — 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 (2 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-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE GLP1R, GCGR, GIPR CTSK 2891/4885CTSS 3908/4885MMP8 4761/4885
US-20110178007-A1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS GLP1R, GCGR, GIPR CTSK 2341/4885CTSS 4045/4885MMP8 4796/4885

“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.

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