SCHEMBL1915530

SCHEMBL1915530

CC(C)(C)OC(=O)CC(Cc1cccc(C#N)c1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.60
SLC7A5 Q01650 1/20 0.44
CTSS P25774 3/20 0.42
CTSK P43235 3/20 0.42
CTSB P07858 2/20 0.42
FFAR1 O14842 2/20 0.42
PIN1 Q13526 1/20 0.41
MAOB P27338 1/20 0.41
CTSL P07711 1/20 0.41
CPA1 P15085 2/20 0.40
CPB1 P15086 1/20 0.40
CPA3 P15088 1/20 0.40
CPB2 Q96IY4 1/20 0.40
GLA P06280 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
ABCB1 P08183 1/20 0.39

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
SCHEMBL1915526 1.00 FOLH1 (0.60) FOLH1SLC7A5CTSSCTSKCTSB
SCHEMBL14462340 0.91 FOLH1 (0.51) FOLH1SLC7A5CTSSCTSKCTSB
SCHEMBL1916390 0.85 MME (0.44) FOLH1CTSSCTSKCTSBMAOB
SCHEMBL1916393 0.85 MME (0.44) FOLH1CTSSCTSKCTSBMAOB
SCHEMBL23699440 0.82 FOLH1 (0.56) FOLH1SLC7A5CTSSCTSKCTSB
SCHEMBL1704913 0.82 CPA1 (0.60) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL1915766 0.82 CPA1 (0.60) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL1704171 0.82 CPA1 (0.60) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL1915346 0.81 CTSS (0.51) FOLH1SLC7A5CTSSCTSKCPA1
SCHEMBL1915662 0.81 CTSL (0.51) FOLH1SLC7A5CTSLCPA1CPB1

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 FOLH1 1012/4885SLC7A5 1419/4885CTSS 1520/4885

“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.