SCHEMBL4985599

SCHEMBL4985599

CSc1ccc(NC(=O)c2sc(NC(C)=O)nc2CCc2ccc(NC(NC(=O)O)(N(C(=O)O)C(C)(C)C)C(C)(C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.43
ALDH1A1 P00352 2/20 0.35
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4985430 0.92 AOC3 (0.39) AOC3ALDH1A1RXFP1NPC1RAB9A
SCHEMBL4991741 0.89 AOC3 (0.45) AOC3ALDH1A1SMN1; SMN2
SCHEMBL4871391 0.89 AOC3 (0.39) AOC3
SCHEMBL4986164 0.87 AOC3 (0.35) AOC3
SCHEMBL4876400 0.86 KMT2A (0.38) AOC3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4877774 0.86 NPC1 (0.38) AOC3NPC1RAB9ASMN1; SMN2
SCHEMBL4864969 0.85 SCD (0.42) AOC3ALDH1A1RXFP1NPC1RAB9A
SCHEMBL4986021 0.85 AOC3 (0.34) AOC3ALDH1A1RXFP1
SCHEMBL4988080 0.84 NAMPT (0.36) AOC3FLT1KDR
SCHEMBL4982248 0.83 AOC3 (0.34) AOC3NPC1RAB9A

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 202/4885ALDH1A1 927/4885FLT1 7/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885ALDH1A1 260/4885FLT1 8/4885

“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.