SCHEMBL4991333

SCHEMBL4991333

CC(=O)Nc1nc(CCc2ccc(NC(N(C(=O)O)C(C)(C)C)N(C(=O)O)C(C)(C)C)cc2)c(CN2CCNCC2)s1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 14/20 0.41
OGA O60502 5/20 0.36
PTK2 Q05397 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
SCHEMBL4874726 0.92 AOC3 (0.39) AOC3OGA
SCHEMBL4988852 0.92 AOC3 (0.41) AOC3OGA
SCHEMBL4991656 0.91 AOC3 (0.40) AOC3OGA
SCHEMBL5999926 0.91 AOC3 (0.40) AOC3OGA
SCHEMBL4876251 0.91 AOC3 (0.40) AOC3OGA
SCHEMBL4992674 0.90 AOC3 (0.39) AOC3OGA
SCHEMBL4984987 0.89 AOC3 (0.39) AOC3OGA
SCHEMBL4987493 0.89 AOC3 (0.41) AOC3
SCHEMBL4985608 0.88 AOC3 (0.38) AOC3OGA
SCHEMBL4988907 0.88 AOC3 (0.42) AOC3OGA

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 202/4885OGA 1488/4885PTK2 201/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885OGA 990/4885PTK2 277/4885

“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.