SCHEMBL4985667

SCHEMBL4985667

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)(N(C(=O)O)C(C)(C)C)C(C)(C)C)cc2)c(-c2ccccc2)s1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 9/20 0.46
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.38
ADORA2A P29274 2/20 0.36
ADORA1 P30542 1/20 0.36
RORC P51449 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
PIK3CG P48736 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35

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
SCHEMBL4982443 0.91 AOC3 (0.58) AOC3PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL4988932 0.87 AOC3 (0.56) AOC3MAPTRORCPOLBRAB9A
SCHEMBL4875771 0.87 AOC3 (0.38) AOC3
SCHEMBL4985430 0.87 AOC3 (0.39) AOC3MEN1KMT2AMAPTALDH1A1
SCHEMBL4871391 0.85 AOC3 (0.39) AOC3
SCHEMBL4871878 0.85 AOC3 (0.42) AOC3PIK3CGPIK3CD
SCHEMBL5496066 0.85 AOC3 (0.44) AOC3MAPTPOLBRAB9A
SCHEMBL4877774 0.85 NPC1 (0.38) AOC3POLBRAB9ANPC1
SCHEMBL4864969 0.85 SCD (0.42) AOC3MEN1KMT2AMAPTALDH1A1
SCHEMBL4988537 0.83 AOC3 (0.41) 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 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 202/4885MEN1 3711/4885KMT2A 4255/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885MEN1 3836/4885KMT2A 3324/4885

“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.