SCHEMBL1917068

SCHEMBL1917068

Cc1sc(NC(=O)C2CC=CCC2C(=O)O)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GRM4 Q14833 1/20 0.47
POLB P06746 5/20 0.47
TDP1 Q9NUW8 4/20 0.47
MEN1 O00255 3/20 0.47
HTT P42858 1/20 0.46
TSHR P16473 2/20 0.45
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.44
RORC P51449 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 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
SCHEMBL1915367 0.88 MAPK1 (0.57) GAAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL1915536 0.85 ALDH1A1 (0.60) GAAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL1915091 0.83 ALDH1A1 (0.58) GAAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL1915818 0.83 MAPT (0.77) GAAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL1916093 0.82 KMT2A (0.51) GAAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL2397574 0.81 MAPT (0.64) GAAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL1915349 0.79 ALDH1A1 (0.60) GAAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL1914731 0.78 ALDH1A1 (0.62) GAAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL1915886 0.78 ALDH1A1 (0.56) GAAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL2398140 0.76 ALDH1A1 (0.76) GAAMAPTKMT2AALDH1A1SMN1; SMN2

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 6 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
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
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 GAA 60/4885MAPT 1763/4885KMT2A 3648/4885

“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.