SCHEMBL4986002

SCHEMBL4986002

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)N2CCN(S(C)(=O)=O)CC2)s1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 12/20 0.36
POLB P06746 2/20 0.34
GAA P10253 1/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL4864901 0.91 AOC3 (0.36) AOC3
SCHEMBL4991705 0.89 AOC3 (0.36) AOC3
SCHEMBL4876600 0.88 MAPK14 (0.36) AOC3
SCHEMBL4987493 0.87 AOC3 (0.41) AOC3POLBKMT2AALDH1A1MEN1
SCHEMBL4988772 0.85 AOC3 (0.37) AOC3POLBTSHR
SCHEMBL4871881 0.85 AOC3 (0.39) AOC3POLBGAAKMT2AALDH1A1
SCHEMBL4986320 0.85 OGA (0.35) AOC3POLBALDH1A1TSHR
SCHEMBL4988481 0.85 AOC3 (0.34) AOC3ALDH1A1TSHR
SCHEMBL4986010 0.83 AOC3 (0.36) AOC3POLBGAAKMT2AMAPT
SCHEMBL4871385 0.82 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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 202/4885POLB 3010/4885GAA 1570/4885

“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.