SCHEMBL5551608

SCHEMBL5551608

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

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.60
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RORC P51449 1/20 0.34
OGA O60502 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL4873931 0.92 AOC3 (0.50) AOC3RORC
SCHEMBL4875902 0.92 AOC3 (0.58) AOC3RORC
SCHEMBL5496093 0.92 AOC3 (0.59) AOC3
SCHEMBL4988932 0.91 AOC3 (0.56) AOC3RORCRXFP1
SCHEMBL4866140 0.88 AOC3 (0.46) AOC3RORC
SCHEMBL4982481 0.88 AOC3 (0.48) AOC3SMN1; SMN2RXFP1
SCHEMBL4991579 0.88 AOC3 (0.48) AOC3SMN1; SMN2
SCHEMBL4987469 0.88 AOC3 (0.57) AOC3NPSR1RORCALDH1A1
SCHEMBL4871878 0.86 AOC3 (0.42) AOC3
SCHEMBL5496066 0.86 AOC3 (0.44) 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 386/4885SMN1; 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.