SCHEMBL4984528

SCHEMBL4984528

CNC(=O)[C@H]1CCCN(Cc2sc(NC(C)=O)nc2CCc2ccc(NC(N(C(=O)O)C(C)(C)C)N(C(=O)O)C(C)(C)C)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OGA O60502 4/20 0.42
AOC3 Q16853 10/20 0.38
KDM4E B2RXH2 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
ROCK2 O75116 1/20 0.34
CCR2 P41597 1/20 0.34
ROCK1 Q13464 1/20 0.34
DRD3 P35462 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4985372 1.00 OGA (0.42) OGAAOC3KDM4EOPRM1OPRD1
SCHEMBL5545464 0.96 AOC3 (0.38) OGAAOC3
SCHEMBL5547038 0.96 AOC3 (0.38) OGAAOC3
SCHEMBL4985674 0.92 OGA (0.39) OGAAOC3KDM4EOPRM1OPRD1
SCHEMBL4984550 0.92 OGA (0.39) OGAAOC3KDM4EOPRM1OPRD1
SCHEMBL4984491 0.92 OGA (0.40) OGAAOC3
SCHEMBL5551601 0.87 AOC3 (0.37) OGAAOC3
SCHEMBL5551593 0.87 AOC3 (0.37) OGAAOC3
SCHEMBL4874830 0.86 OGA (0.45) OGAAOC3KDM4EOPRM1OPRD1
SCHEMBL4870871 0.86 OGA (0.45) OGAAOC3KDM4EOPRM1OPRD1

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 OGA 1488/4885AOC3 202/4885KDM4E 3439/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 OGA 990/4885AOC3 85/4885KDM4E 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.