SCHEMBL5545300

SCHEMBL5545300

CC(=O)Nc1nc(CCc2ccc(NC(N(C(=O)O)C(C)(C)C)N(C(=O)O)C(C)(C)C)cc2)c(Cc2ccc(S(N)(=O)=O)cc2)s1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.62
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
HTT P42858 1/20 0.38
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
RORC P51449 1/20 0.35

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
SCHEMBL4875894 0.93 AOC3 (0.61) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4873929 0.93 AOC3 (0.54) AOC3RORC
SCHEMBL5551606 0.92 AOC3 (0.64) AOC3HTTRORC
SCHEMBL4988925 0.90 AOC3 (0.59) AOC3
SCHEMBL4987464 0.88 AOC3 (0.59) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4866130 0.87 AOC3 (0.48) AOC3
SCHEMBL4991572 0.87 AOC3 (0.49) AOC3
SCHEMBL4982477 0.87 AOC3 (0.49) AOC3
SCHEMBL4873656 0.86 AOC3 (0.63) AOC3
SCHEMBL5496062 0.86 AOC3 (0.47) AOC3

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 1 patent. 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

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 386/4885CA1 4846/4885CA2 3419/4885

“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.