SCHEMBL1915653

SCHEMBL1915653

CCCCC(CC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.55
MAPK1 P28482 1/20 0.55
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
SLC1A3 P43003 1/20 0.47
CTSK P43235 4/20 0.43
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 2/20 0.42
CHRM1 P11229 1/20 0.42
AKR1A1 P14550 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL1915651 1.00 CA2 (0.55) CA2MAPK1MEN1GAAKMT2A
SCHEMBL6161064 0.95 GRIK1 (0.49) CA2MAPK1MEN1GAAKMT2A
SCHEMBL6161042 0.95 GRIK1 (0.49) CA2MAPK1MEN1GAAKMT2A
SCHEMBL6138155 0.93 GRIK1 (0.50) CA2MAPK1MEN1GAAKMT2A
SCHEMBL8217023 0.93 GRIK1 (0.50) CA2MAPK1MEN1GAAKMT2A
SCHEMBL7075183 0.93 GRIK1 (0.50) CA2MAPK1MEN1GAAKMT2A
SCHEMBL8217020 0.93 GRIK1 (0.50) CA2MAPK1MEN1GAAKMT2A
SCHEMBL6808467 0.93 GRIK1 (0.50) CA2MAPK1MEN1GAAKMT2A
SCHEMBL7069281 0.93 GRIK1 (0.50) CA2MAPK1MEN1GAAKMT2A
SCHEMBL7304504 0.93 GRIK1 (0.50) CA2MAPK1MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101328156-B Hydroxamic acid derivative containing 1,3 dihetero five-membered ring and application thereof TIANJIN INST PHARM RESEARCH 2012-04-04 CN disclosed
WO-2011151434-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed
CN-102245574-A Compounds, pharmaceutical compositions and methods for treating metabolic disorders EUROSCREEN SA 2011-11-16 CN disclosed
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
CN-101328156-A Hydroxamic acids derivates containing 1,3 biheterocycle five-membered rings and use thereof TIANJIN INST PHARM RESEARCH (CN) 2008-12-24 CN 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 2655/4885MAPK1 3186/4885MEN1 1084/4885

“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.