SCHEMBL1915833

SCHEMBL1915833

CC[N+](C)(C)C(=O)c1sc(NC(=O)C2CCCCC2C(=O)O)nc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
POLB P06746 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CASP6 P55212 2/20 0.41
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41

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
SCHEMBL1916359 0.82 ALDH1A1 (0.56) HTTALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL1915823 0.81 ALDH1A1 (0.73) HTTALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL1915130 0.80 ALDH1A1 (0.61) HTTALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL2398266 0.78 SMN1; SMN2 (0.67) HTTALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL1915836 0.77 ALDH1A1 (0.51) HTTALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL2398236 0.73 ALDH1A1 (0.55) HTTALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL1915268 0.69 MEN1 (0.68) HTTALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL1914694 0.68 MEN1 (0.66) HTTALDH1A1SMN1; SMN2TDP1MEN1
SCHEMBL4202353 0.68 RAB9A (0.68) ALDH1A1SMN1; SMN2TDP1MEN1KMT2A
SCHEMBL1915274 0.68 ALDH1A1 (0.68) HTTALDH1A1SMN1; SMN2TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP 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 HTT 1481/4885ALDH1A1 623/4885SMN1; SMN2 3353/4885

“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.