SCHEMBL4667707

SCHEMBL4667707

NC(=O)c1sccc1C[CH]CCO

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.42
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.34
ALOX5 P09917 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
GSK3B P49841 1/20 0.30

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
SCHEMBL28804025 0.78 BCAT2 (0.42) BCAT2MAPK8MAPK10GAAHSD17B10
SCHEMBL31322640 0.77 BCAT2 (0.52) BCAT2MAPK8MAPK10GAAHSD17B10
SCHEMBL4668673 0.74 ALDH1A1 (0.44) MAPK8MAPK10GAAHSD17B10ALOX5
SCHEMBL17152657 0.73 BCAT2 (0.45) BCAT2MAPK8MAPK10GAAHSD17B10
SCHEMBL2279587 0.73 BCAT2 (0.47) BCAT2MAPK8MAPK10GAAHSD17B10
SCHEMBL21356996 0.70 BCAT2 (0.44) BCAT2MAPK8MAPK10HSD17B10PKM
SCHEMBL4667152 0.70 BCAT2 (0.42) BCAT2GAAHSD17B10MEN1ALDH1A1
SCHEMBL3077087 0.69 PKM (0.43) BCAT2MAPK8MAPK10GAAHSD17B10
SCHEMBL16087215 0.68 BCAT2 (0.42) BCAT2MAPK8MAPK10GAAPKM
SCHEMBL3814101 0.68 CDK8 (0.43) BCAT2MAPK8MAPK10PKMMEN1

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-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS BAYER SCHERING PHARMA AG (DE) 2008-11-20 US claimed
WO-2008131972-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-GAMMA-AMINOALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO claimed
EP-1985612-A1 Arymethylen substituted N-Acyl-gamma-aminoalcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-29 EP claimed
US-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS BAYER SCHERING PHARMA AG (DE) 2008-11-20 US disclosed
WO-2008131972-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-GAMMA-AMINOALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
EP-1985612-A1 Arymethylen substituted N-Acyl-gamma-aminoalcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-29 EP 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-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS FSHR, CYP19A1, GNRHR BCAT2 174/4885MAPK8 3134/4885MAPK10 2214/4885

“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.