SCHEMBL4987489

SCHEMBL4987489

CC(=O)Nc1nc(CCc2ccc(NC(N(C(=O)O)C(C)(C)C)N(C(=O)O)C(C)(C)C)cc2)c(CN2CCC(C(=O)N(C)C)CC2)s1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 12/20 0.38
OGA O60502 6/20 0.36
ACKR3 P25106 2/20 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
SCHEMBL5551593 0.96 AOC3 (0.37) AOC3OGA
SCHEMBL5551601 0.96 AOC3 (0.37) AOC3OGA
SCHEMBL4988907 0.92 AOC3 (0.42) AOC3OGA
SCHEMBL4984550 0.92 OGA (0.39) AOC3OGA
SCHEMBL4985674 0.92 OGA (0.39) AOC3OGA
SCHEMBL4984491 0.91 OGA (0.40) AOC3OGAACKR3
SCHEMBL4992674 0.89 AOC3 (0.39) AOC3OGA
SCHEMBL5547038 0.88 AOC3 (0.38) AOC3OGA
SCHEMBL5545464 0.88 AOC3 (0.38) AOC3OGA
SCHEMBL4988852 0.88 AOC3 (0.41) 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 1488/4885ACKR3 1243/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885OGA 990/4885ACKR3 970/4885

“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.