SCHEMBL1914508

SCHEMBL1914508

Cn1nccc1CC(CC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ITGA4 P13612 2/20 0.35
ITGB7 P26010 2/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
ACE P12821 1/20 0.33
MME P08473 1/20 0.33
POLB P06746 1/20 0.32
CPA1 P15085 3/20 0.31
ABCB1 P08183 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
CPB1 P15086 1/20 0.31
CPA3 P15088 1/20 0.31
CPB2 Q96IY4 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL21994638 0.76 CA2 (0.37) KMT2ACA2CA9ACEMME
SCHEMBL21994639 0.76 CA2 (0.37) KMT2ACA2CA9ACEMME
SCHEMBL22036317 0.74 FAAH (0.34) KMT2ACA2CA9MMEMEN1
SCHEMBL26645750 0.74 FAAH (0.34) KMT2ACA2CA9MMEMEN1
SCHEMBL1915766 0.74 CPA1 (0.60) CA2CA9MMECPA1CPB1
SCHEMBL1704171 0.74 CPA1 (0.60) CA2CA9MMECPA1CPB1
SCHEMBL1704913 0.74 CPA1 (0.60) CA2CA9MMECPA1CPB1
SCHEMBL21978634 0.73 PTPRA (0.51) CA2CA9CPA1CPB1CPA3
SCHEMBL31326535 0.73 PTPRA (0.51) CA2CA9CPA1CPB1CPA3
SCHEMBL21978636 0.73 PTPRA (0.51) 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 KMT2A 3648/4885L3MBTL1 4837/4885ITGA4 4369/4885

“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.