SCHEMBL4991741

SCHEMBL4991741

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)(N(C(=O)O)C(C)(C)C)C(C)(C)C)cc2)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 13/20 0.45
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
RORC P51449 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4988574 0.93 AOC3 (0.43) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4985430 0.92 AOC3 (0.39) AOC3MEN1KMT2APOLBKDM4E
SCHEMBL4987469 0.90 AOC3 (0.57) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4985599 0.89 AOC3 (0.43) AOC3SMN1; SMN2ALDH1A1
SCHEMBL4871391 0.89 AOC3 (0.39) AOC3
SCHEMBL4875902 0.88 AOC3 (0.58) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4982443 0.88 AOC3 (0.58) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4987280 0.88 AOC3 (0.37) AOC3MEN1KMT2AALDH1A1NPSR1
SCHEMBL4875659 0.87 AOC3 (0.37) AOC3PIK3CDMEN1KMT2APOLB
SCHEMBL4986164 0.87 AOC3 (0.35) AOC3PIK3CG

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.