SCHEMBL1915367

SCHEMBL1915367

Cc1sc(NC(=O)C2CCCCC2C(=O)O)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.57
GAA P10253 2/20 0.54
MAPT P10636 1/20 0.54
CYP2C19 P33261 2/20 0.54
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 3/20 0.49
HTT P42858 3/20 0.49
POLB P06746 2/20 0.49
RAB9A P51151 2/20 0.49
GRM4 Q14833 2/20 0.47
MEN1 O00255 1/20 0.47
CASP6 P55212 1/20 0.47
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
RORC P51449 1/20 0.43

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
SCHEMBL1917068 0.88 GAA (0.54) GAAMAPTKMT2AALDH1A1HTT
SCHEMBL1914959 0.85 ALDH1A1 (0.60) MAPK1GAAMAPTCYP2C19KMT2A
SCHEMBL1915205 0.83 ALDH1A1 (0.51) MAPK1GAAMAPTCYP2C19KMT2A
SCHEMBL2397324 0.83 GAA (0.77) GAAMAPTKMT2AALDH1A1HTT
SCHEMBL1914809 0.81 GAA (0.64) GAAMAPTCYP2C19KMT2AALDH1A1
SCHEMBL1916165 0.79 ALDH1A1 (0.60) MAPK1GAAMAPTCYP2C19KMT2A
SCHEMBL27840363 0.79 KMT2A (0.51) GAAMAPTKMT2AALDH1A1HTT
SCHEMBL1916093 0.78 KMT2A (0.51) MAPK1GAAMAPTKMT2AALDH1A1
SCHEMBL1915756 0.78 ALDH1A1 (0.62) GAAMAPTCYP2C19KMT2AALDH1A1
SCHEMBL1915602 0.77 ALDH1A1 (0.60) GAAMAPTCYP2C19KMT2AALDH1A1

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
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US claimed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP claimed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO claimed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO claimed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 WO claimed
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-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 MAPK1 3186/4885GAA 60/4885MAPT 1763/4885

“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.