SCHEMBL4990573

SCHEMBL4990573

CC(=O)Nc1nc(CCc2ccc(NC(N(C(=O)O)C(C)(C)C)N(C(=O)O)C(C)(C)C)cc2)c(C(=O)NCCC(=O)NCc2ccccc2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.39
AOC3 Q16853 2/20 0.38
POLB P06746 4/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PTPN1 P18031 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.34
GLS O94925 1/20 0.33
LMNA P02545 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAOB P27338 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL4864961 0.93 SCD (0.42) SCDAOC3POLBRAB9AMAPT
SCHEMBL4875737 0.89 SCD (0.40) SCDAOC3POLBRAB9AMAPT
SCHEMBL4877574 0.89 AOC3 (0.38) AOC3POLBRAB9AMAPTRXFP1
SCHEMBL4982245 0.88 AOC3 (0.36) AOC3POLBRAB9AMAPT
SCHEMBL4986159 0.88 AOC3 (0.37) AOC3RXFP1
SCHEMBL4990330 0.88 KDR (0.38) SCDAOC3MAPTALDH1A1LMNA
SCHEMBL4988070 0.87 KDR (0.37) SCDAOC3
SCHEMBL4985427 0.86 AOC3 (0.41) AOC3POLBRAB9AMAPTALDH1A1
SCHEMBL4985026 0.86 ALDH1A1 (0.44) SCDAOC3POLBRAB9AMAPT
SCHEMBL4982416 0.85 AOC3 (0.35) AOC3POLBRAB9AMAPT

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 SCD 715/4885AOC3 202/4885POLB 3010/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 SCD 818/4885AOC3 85/4885POLB 3970/4885

“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.