SCHEMBL1915705

SCHEMBL1915705

COC(=O)C(CC(=O)OC(C)(C)C)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
KLK5 Q9Y337 2/20 0.50
ITGA4 P13612 1/20 0.48
ITGB7 P26010 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 2/20 0.46
CYP1A2 P05177 1/20 0.45
BIRC2 Q13490 1/20 0.44
CTSS P25774 2/20 0.44
FOLH1 Q04609 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
CPA1 P15085 2/20 0.44
CPB1 P15086 1/20 0.44
CPA3 P15088 1/20 0.44
CPB2 Q96IY4 1/20 0.44

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
SCHEMBL1915701 1.00 CA2 (0.52) CA2CA9KLK5ITGA4ITGB7
SCHEMBL2876345 0.92 CA2 (0.51) CA2CA9KLK5ITGA4ITGB7
SCHEMBL9554305 0.89 ITGA4 (0.51) CA2CA9KLK5ITGA4ITGB7
SCHEMBL1915687 0.88 CA2 (0.44) CA2CA9KLK5ITGA4ITGB7
SCHEMBL7280308 0.87 SLC15A1 (0.49) CA2CA9ATMCYP1A2CPA1
SCHEMBL8399611 0.87 SLC15A1 (0.49) CA2CA9ATMCYP1A2CPA1
SCHEMBL1915766 0.87 CPA1 (0.60) CA2CA9CYP1A2FOLH1CPA1
SCHEMBL1704913 0.87 CPA1 (0.60) CA2CA9CYP1A2FOLH1CPA1
SCHEMBL1704171 0.87 CPA1 (0.60) CA2CA9CYP1A2FOLH1CPA1
SCHEMBL7506768 0.86 KMT2A (0.54) KMT2AATMCYP1A2BIRC2CPA1

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 CA2 2655/4885CA9 1042/4885KLK5 516/4885

“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.