SCHEMBL4991665

SCHEMBL4991665

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)(N(C(=O)O)C(C)(C)C)C(C)(C)C)cc2)c(CN2CCOCC2)s1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 13/20 0.38
ROCK2 O75116 2/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
CNR2 P34972 1/20 0.35
MOK Q9UQ07 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
SCHEMBL4990369 0.94 AOC3 (0.37) AOC3
SCHEMBL4991350 0.92 AOC3 (0.39) AOC3
SCHEMBL4988869 0.92 AOC3 (0.39) AOC3
SCHEMBL4876265 0.90 AOC3 (0.38) AOC3
SCHEMBL4992687 0.90 AOC3 (0.37) AOC3
SCHEMBL4985001 0.89 AOC3 (0.37) AOC3
SCHEMBL4987507 0.89 AOC3 (0.41) AOC3
SCHEMBL4988915 0.88 AOC3 (0.40) AOC3
SCHEMBL4985621 0.88 AOC3 (0.36) AOC3
SCHEMBL4987492 0.88 AOC3 (0.36) 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 202/4885ROCK2 70/4885BRD4 1745/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885ROCK2 329/4885BRD4 667/4885

“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.