SCHEMBL3932912

SCHEMBL3932912

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 11/20 0.37
S1PR4 O95977 2/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR5 Q9H228 2/20 0.35
OGA O60502 7/20 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
SCHEMBL3932906 1.00 AOC3 (0.37) AOC3S1PR4S1PR1S1PR3S1PR5
SCHEMBL3940980 1.00 AOC3 (0.37) AOC3S1PR4S1PR1S1PR3S1PR5
SCHEMBL3941993 1.00 AOC3 (0.37) AOC3S1PR4S1PR1S1PR3S1PR5
SCHEMBL4867043 0.96 OGA (0.40) AOC3S1PR5OGA
SCHEMBL4984840 0.96 OGA (0.40) AOC3S1PR5OGA
SCHEMBL4867048 0.96 OGA (0.40) AOC3S1PR5OGA
SCHEMBL4984823 0.96 OGA (0.40) AOC3S1PR5OGA
SCHEMBL4876151 0.96 AOC3 (0.38) AOC3OGA
SCHEMBL4876176 0.96 AOC3 (0.38) AOC3OGA
SCHEMBL5550218 0.94 AOC3 (0.38) AOC3OGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US 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 386/4885S1PR4 2482/4885S1PR1 1666/4885

“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.