SCHEMBL4891668

SCHEMBL4891668

CNC(=O)c1nc(/C=C\c2ccc(CC(=O)O)s2)cs1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.33
KMT2A Q03164 4/20 0.33
TBXAS1 P24557 4/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 3/20 0.33
RPS6KB2 Q9UBS0 1/20 0.33
HPGD P15428 2/20 0.32
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX5 P09917 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ACACA Q13085 1/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 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
SCHEMBL4887508 1.00 ADAMTS5 (0.33) ADAMTS5KMT2ATBXAS1MAPTMEN1
SCHEMBL4887513 1.00 ADAMTS5 (0.33) ADAMTS5KMT2ATBXAS1MAPTMEN1
SCHEMBL4893025 0.84 ALOX5 (0.33) ADAMTS5KMT2ATBXAS1MAPTMEN1
SCHEMBL4889230 0.84 ALOX5 (0.33) ADAMTS5KMT2ATBXAS1MAPTMEN1
SCHEMBL4889223 0.84 ALOX5 (0.33) ADAMTS5KMT2ATBXAS1MAPTMEN1
SCHEMBL4892315 0.79 KDM4E (0.48) KMT2AMAPTMEN1ALDH1A1HSD17B10
SCHEMBL4892309 0.79 KDM4E (0.48) KMT2AMAPTMEN1ALDH1A1HSD17B10
SCHEMBL4883440 0.77 ALDH1A1 (0.40) ADAMTS5KMT2AMAPTMEN1ALDH1A1
SCHEMBL4883468 0.77 ALDH1A1 (0.40) ADAMTS5KMT2AMAPTMEN1ALDH1A1
SCHEMBL4883445 0.77 ALDH1A1 (0.40) ADAMTS5KMT2AMAPTMEN1ALDH1A1

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 ADAMTS5 4399/4885KMT2A 4199/4885TBXAS1 1442/4885

“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.