SCHEMBL1914959

SCHEMBL1914959

Cc1sc(NC(=O)C2CCCCC2C(=O)O)nc1-c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
HTT P42858 2/20 0.60
RAB9A P51151 4/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 1/20 0.50
CASP6 P55212 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
CYP2C19 P33261 2/20 0.49
MAPK1 P28482 1/20 0.49
DHODH Q02127 1/20 0.48
GRM4 Q14833 1/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALOX5 P09917 1/20 0.47
CYP2C9 P11712 2/20 0.47

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
SCHEMBL1915756 0.91 ALDH1A1 (0.62) ALDH1A1HTTRAB9APOLBMEN1
SCHEMBL1916165 0.90 ALDH1A1 (0.60) ALDH1A1HTTRAB9APOLBMEN1
SCHEMBL1915602 0.89 ALDH1A1 (0.60) ALDH1A1HTTRAB9APOLBMEN1
SCHEMBL2398520 0.89 ALDH1A1 (0.76) ALDH1A1HTTRAB9AMEN1KMT2A
SCHEMBL1915205 0.87 ALDH1A1 (0.51) ALDH1A1HTTRAB9APOLBMEN1
SCHEMBL1915405 0.87 PLA2G1B (0.55) ALDH1A1HTTRAB9APOLBMEN1
SCHEMBL2398728 0.87 ALDH1A1 (0.58) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL2398397 0.87 ALDH1A1 (0.60) ALDH1A1HTTRAB9APOLBMEN1
SCHEMBL2399219 0.87 ALDH1A1 (0.58) ALDH1A1HTTRAB9APOLBMEN1
SCHEMBL1915536 0.86 ALDH1A1 (0.60) ALDH1A1HTTPOLBMEN1KMT2A

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 10 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-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 ALDH1A1 623/4885HTT 1481/4885RAB9A 1681/4885

“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.