SCHEMBL4987464

SCHEMBL4987464

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.59
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL4875894 0.95 AOC3 (0.61) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4982439 0.90 AOC3 (0.61) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5551577 0.90 AOC3 (0.49) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4991737 0.89 AOC3 (0.47) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4873929 0.88 AOC3 (0.54) AOC3
SCHEMBL4873656 0.88 AOC3 (0.63) AOC3MAPTMEN1ALDH1A1KMT2A
SCHEMBL5545300 0.88 AOC3 (0.62) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5551606 0.88 AOC3 (0.64) AOC3HTTMAPTNPSR1
SCHEMBL4988571 0.87 AOC3 (0.45) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4984683 0.86 AOC3 (0.44) AOC3MAPT

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 202/4885PIK3CD 4600/4885PIK3CA 4444/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885PIK3CD 4683/4885PIK3CA 4321/4885

“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.