SCHEMBL4988488

SCHEMBL4988488

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)(N(C(=O)O)C(C)(C)C)C(C)(C)C)cc2)c(C(=O)N2CCC(C(=O)N(C)C)CC2)s1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 10/20 0.32
OGA O60502 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CG P48736 1/20 0.32
CPS1 P31327 1/20 0.31
MCHR1 Q99705 1/20 0.31
ABL1 P00519 1/20 0.30
RIN1 Q13671 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL4988776 0.92 AOC3 (0.35) AOC3OGA
SCHEMBL4986328 0.92 OGA (0.34) AOC3OGACPS1ABL1RIN1
SCHEMBL4991713 0.89 AOC3 (0.34) AOC3
SCHEMBL4987468 0.88 UCHL1 (0.36) AOC3PIK3CDPIK3CG
SCHEMBL4988773 0.88 UCHL1 (0.36) AOC3PIK3CDPIK3CG
SCHEMBL4987492 0.88 AOC3 (0.36) AOC3OGA
SCHEMBL4986010 0.86 AOC3 (0.36) AOC3
SCHEMBL5551598 0.85 AOC3 (0.35) AOC3OGA
SCHEMBL5500623 0.85 AOC3 (0.35) AOC3OGA
SCHEMBL4877774 0.84 NPC1 (0.38) AOC3

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 4 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
EP-1608365-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE Sucampo AG (CH) 2005-12-28 EP disclosed
WO-2004087138-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2004-10-14 WO 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 1488/4885PIK3CD 4600/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885OGA 990/4885PIK3CD 4683/4885

“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.