SCHEMBL4668673

SCHEMBL4668673

NC(=O)c1ccsc1C[CH]CCO

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
PTK2 Q05397 1/20 0.38
ALOX5 P09917 1/20 0.36
MAPK8 P45983 11/20 0.36
MAPK10 P53779 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6799690 0.74 ALDH1A1 (0.44) ALDH1A1MAPTMEN1MAPK1KMT2A
SCHEMBL4667707 0.74 BCAT2 (0.42) ALDH1A1MAPTMEN1MAPK1KMT2A
SCHEMBL15468336 0.72 ALDH1A1 (0.53) ALDH1A1MAPTMEN1MAPK1KMT2A
SCHEMBL4667152 0.70 BCAT2 (0.42) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL3641807 0.69 MEN1 (0.50) ALDH1A1MAPTMEN1MAPK1KMT2A
SCHEMBL4667274 0.68 ALOX5 (0.33) ALDH1A1MAPTMEN1MAPK1KMT2A
SCHEMBL27213298 0.67 MAPT (0.47) ALDH1A1MAPTMEN1MAPK1KMT2A
SCHEMBL31689136 0.67 MAPK8 (0.55) ALDH1A1MAPTMEN1MAPK1KMT2A
SCHEMBL5067843 0.67
SCHEMBL13147514 0.66 NPC1 (0.58) ALDH1A1MAPTMEN1MAPK1KMT2A

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 ALDH1A1 1026/4885MAPT 4844/4885MEN1 1640/4885

“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.