SCHEMBL4988915

SCHEMBL4988915

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

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 13/20 0.40
OGA O60502 6/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL4984498 0.92 OGA (0.39) AOC3OGA
SCHEMBL4987492 0.92 AOC3 (0.36) AOC3OGA
SCHEMBL5551598 0.90 AOC3 (0.35) AOC3OGAKDM4E
SCHEMBL5545473 0.90 OGA (0.37) AOC3OGA
SCHEMBL5500623 0.90 AOC3 (0.35) AOC3OGAKDM4E
SCHEMBL5504270 0.90 OGA (0.37) AOC3OGA
SCHEMBL4991350 0.89 AOC3 (0.39) AOC3OGA
SCHEMBL4988869 0.89 AOC3 (0.39) AOC3OGA
SCHEMBL4991665 0.88 AOC3 (0.38) AOC3
SCHEMBL4876265 0.88 AOC3 (0.38) AOC3KDM4EALDH1A1

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 1488/4885KDM4E 3439/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885OGA 990/4885KDM4E 2818/4885

“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.