SCHEMBL4990293

SCHEMBL4990293

CC(C)(C)N(C(=O)O)C(Nc1ccc(CCc2csc(NC(=O)c3ccccc3)n2)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 7/20 0.56
KDM4E B2RXH2 2/20 0.47
PDE5A O76074 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SCD O00767 8/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4865974 0.89 AOC3 (0.58) AOC3NPC1RAB9ASMN1; SMN2
SCHEMBL5549591 0.83 AOC3 (0.55) AOC3NPC1RAB9ASMN1; SMN2
SCHEMBL4874675 0.81 AOC3 (0.63) AOC3KDM4EPDE5ANPC1RAB9A
SCHEMBL27782868 0.79 AOC3 (0.74) AOC3KDM4EPDE5ANPC1RAB9A
SCHEMBL4990295 0.79 AOC3 (0.53) AOC3KDM4EPDE5ANPC1RAB9A
SCHEMBL5545486 0.77 AOC3 (0.53) AOC3NPC1RAB9ASMN1; SMN2
SCHEMBL4867212 0.77 AOC3 (0.58) AOC3NPC1RAB9ASMN1; SMN2
SCHEMBL4870584 0.77 AOC3 (0.58) AOC3NPC1RAB9ASMN1; SMN2
SCHEMBL4874993 0.77 AOC3 (0.74) AOC3KDM4EPDE5ANPC1RAB9A
SCHEMBL13679462 0.76 AOC3 (0.70) AOC3KDM4EPDE5ANPC1RAB9A

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 3 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
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 (1 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 202/4885KDM4E 3439/4885PDE5A 1085/4885

“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.