SCHEMBL4987280

SCHEMBL4987280

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

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 0.37
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL4875659 0.92 AOC3 (0.37) AOC3KMT2AMEN1ALDH1A1NPSR1
SCHEMBL4986164 0.92 AOC3 (0.35) AOC3
SCHEMBL4988574 0.89 AOC3 (0.43) AOC3
SCHEMBL4875750 0.88 GHSR (0.36) AOC3
SCHEMBL4982248 0.88 AOC3 (0.34) AOC3KMT2AMEN1
SCHEMBL4991741 0.88 AOC3 (0.45) AOC3KMT2AMEN1ALDH1A1NPSR1
SCHEMBL4871391 0.88 AOC3 (0.39) AOC3
SCHEMBL4864969 0.87 SCD (0.42) AOC3KMT2AMEN1ALDH1A1
SCHEMBL4875745 0.87 SCD (0.39) AOC3
SCHEMBL4982419 0.87 AOC3 (0.33) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 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 (2 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB AOC3 202/4885KMT2A 4255/4885MEN1 3711/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885KMT2A 3324/4885MEN1 3836/4885

“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.