SCHEMBL1915409

SCHEMBL1915409

CC(C)(C)OC(=O)CC(Cc1ccccc1C#N)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
CTSS P25774 8/20 0.39
CTSK P43235 7/20 0.39
MAOB P27338 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
DPP4 P27487 1/20 0.38
FFAR1 O14842 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CPA1 P15085 2/20 0.36
CPB1 P15086 1/20 0.36
CPA3 P15088 1/20 0.36
CPB2 Q96IY4 1/20 0.36

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
SCHEMBL1915404 1.00 PTPN1 (0.40) PTPN1CTSSCTSKMAOBCTSL
SCHEMBL23699405 0.82 MAOB (0.41) PTPN1CTSSCTSKMAOBCTSL
SCHEMBL1916009 0.82 PPARG (0.46) CA2CA9CPA1CPB1CPA3
SCHEMBL1916013 0.82 PPARG (0.46) CA2CA9CPA1CPB1CPA3
SCHEMBL7382769 0.81 CYP1A2 (0.50) MAOBDPP4FFAR1CPA1CPB1
SCHEMBL30192155 0.81 CTSS (0.49) PTPN1CTSSCTSKCA2CA9
SCHEMBL1914544 0.80 CYP1A2 (0.54)
SCHEMBL1914541 0.80 CYP1A2 (0.54)
SCHEMBL9740320 0.79 CTSS (0.51) CTSSCTSKCPA1
SCHEMBL1915766 0.78 CPA1 (0.60) CA2CA9CPA1CPB1CPA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC PTPN1 3123/4885CTSS 1520/4885CTSK 1144/4885

“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.