SCHEMBL4984730

SCHEMBL4984730

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 19/20 0.41
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL4871228 0.91 AOC3 (0.43) AOC3POLBMAPTRAB9A
SCHEMBL4871866 0.89 AOC3 (0.44) AOC3
SCHEMBL4988528 0.88 AOC3 (0.43) AOC3
SCHEMBL4990539 0.85 AOC3 (0.36) AOC3POLBMAPTRAB9A
SCHEMBL4873238 0.85 AOC3 (0.46) AOC3POLBMAPTRAB9A
SCHEMBL4871486 0.85 AOC3 (0.43) AOC3POLBMAPTRAB9A
SCHEMBL5545487 0.85 AOC3 (0.40) AOC3
SCHEMBL5545447 0.85 AOC3 (0.41) AOC3
SCHEMBL4990204 0.84 AOC3 (0.43) AOC3
SCHEMBL4987121 0.84 AOC3 (0.47) AOC3POLBMAPTRAB9A

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 202/4885POLB 3010/4885MAPT 430/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885POLB 3970/4885MAPT 670/4885

“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.