SCHEMBL4883468

SCHEMBL4883468

CC(=O)NCc1nc(/C=C\c2ccc(CC(=O)O)s2)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 1/20 0.35
ALOX15 P16050 1/20 0.35
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
HTT P42858 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.32
RPS6KB2 Q9UBS0 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
ELANE P08246 1/20 0.31
HPGD P15428 2/20 0.31
USP2 O75604 1/20 0.31
HDAC2 Q92769 1/20 0.31
HSP90AA1 P07900 1/20 0.31
LIPG Q9Y5X9 1/20 0.31

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
SCHEMBL4883440 1.00 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AMEN1HSD17B10
SCHEMBL4883445 1.00 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AMEN1HSD17B10
SCHEMBL4892315 0.82 KDM4E (0.48) ALDH1A1MAPTKMT2AMEN1HSD17B10
SCHEMBL4892309 0.82 KDM4E (0.48) ALDH1A1MAPTKMT2AMEN1HSD17B10
SCHEMBL4891668 0.77 ADAMTS5 (0.33) ALDH1A1MAPTKMT2AMEN1HSD17B10
SCHEMBL4887508 0.77 ADAMTS5 (0.33) ALDH1A1MAPTKMT2AMEN1HSD17B10
SCHEMBL4887513 0.77 ADAMTS5 (0.33) ALDH1A1MAPTKMT2AMEN1HSD17B10
SCHEMBL4887311 0.76 MAPT (0.42) ALDH1A1MAPTKMT2AMEN1HSD17B10
SCHEMBL4889223 0.75 ALOX5 (0.33) ALDH1A1MAPTKMT2AMEN1HSD17B10
SCHEMBL4889230 0.75 ALOX5 (0.33) ALDH1A1MAPTKMT2AMEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2008-01-17 US disclosed
EP-1791835-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
WO-2006028269-A2 THIAZOLE DERIVATIVES HAVING VAP-1 IHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-03-16 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-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA ALDH1A1 1877/4885MAPT 1178/4885KMT2A 4199/4885

“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.