SCHEMBL5500623

SCHEMBL5500623

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)(N(C(=O)O)C(C)(C)C)C(C)(C)C)cc2)c(CN2CC[C@H](C(=O)N(C)C)C2)s1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 13/20 0.35
OGA O60502 6/20 0.34
KDM4E B2RXH2 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL5551598 1.00 AOC3 (0.35) AOC3OGAKDM4EOPRM1OPRD1
SCHEMBL4985684 0.97 OGA (0.38) AOC3OGAKDM4EOPRM1OPRD1
SCHEMBL4984562 0.97 OGA (0.38) AOC3OGAKDM4EOPRM1OPRD1
SCHEMBL4987492 0.96 AOC3 (0.36) AOC3OGA
SCHEMBL5504270 0.92 OGA (0.37) AOC3OGA
SCHEMBL5545473 0.92 OGA (0.37) AOC3OGA
SCHEMBL4988915 0.90 AOC3 (0.40) AOC3OGAKDM4E
SCHEMBL4984498 0.89 OGA (0.39) AOC3OGA
SCHEMBL4985391 0.89 OGA (0.41) AOC3OGAKDM4EOPRM1OPRD1
SCHEMBL4984538 0.89 OGA (0.41) AOC3OGAKDM4EOPRM1OPRD1

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-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US disclosed
EP-1786792-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-05-23 EP disclosed
WO-2006011631-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-02-02 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-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA AOC3 386/4885OGA 2615/4885KDM4E 3784/4885

“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.