SCHEMBL4988481

SCHEMBL4988481

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)N2CCC(C(=O)N(C)C)CC2)s1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 6/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CG P48736 1/20 0.33
OGA O60502 5/20 0.32
ABL1 P00519 2/20 0.32
RIN1 Q13671 2/20 0.32
TSHR P16473 1/20 0.32
CPS1 P31327 1/20 0.32
PTPRB P23467 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4988772 0.92 AOC3 (0.37) AOC3TSHR
SCHEMBL4986320 0.91 OGA (0.35) AOC3OGAABL1RIN1TSHR
SCHEMBL4864901 0.88 AOC3 (0.36) AOC3OGA
SCHEMBL4987461 0.88 UCHL1 (0.37) AOC3
SCHEMBL4988770 0.88 UCHL1 (0.37) AOC3
SCHEMBL4991705 0.88 AOC3 (0.36) AOC3OGA
SCHEMBL4987489 0.87 AOC3 (0.38) AOC3OGA
SCHEMBL4876600 0.86 MAPK14 (0.36) AOC3OGA
SCHEMBL4869142 0.86 AOC3 (0.35) AOC3OGATSHRCPS1ALDH1A1
SCHEMBL4986002 0.85 AOC3 (0.36) AOC3TSHRALDH1A1

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 4600/4885PIK3CG 4625/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885PIK3CD 4683/4885PIK3CG 4725/4885

“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.