SCHEMBL5551606

SCHEMBL5551606

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(=O)(=O)N(C)C)cc2)s1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.64
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RORC P51449 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 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
SCHEMBL4873929 0.93 AOC3 (0.54) AOC3RORC
SCHEMBL4875894 0.93 AOC3 (0.61) AOC3RORCHTT
SCHEMBL5545300 0.92 AOC3 (0.62) AOC3RORCHTT
SCHEMBL4988925 0.90 AOC3 (0.59) AOC3MAPT
SCHEMBL4987464 0.88 AOC3 (0.59) AOC3NPSR1HTTMAPT
SCHEMBL4866130 0.87 AOC3 (0.48) AOC3
SCHEMBL4991572 0.87 AOC3 (0.49) AOC3SMN1; SMN2
SCHEMBL4982477 0.87 AOC3 (0.49) AOC3SMN1; SMN2
SCHEMBL4873656 0.86 AOC3 (0.63) AOC3MAPT
SCHEMBL3937291 0.86 AOC3 (0.67) AOC3SMN1; SMN2NPSR1RORC

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 386/4885SMN1; SMN2 1527/4885NPSR1 4725/4885

“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.