SCHEMBL4988925

SCHEMBL4988925

CC(=O)Nc1nc(CCc2ccc(NC(N(C(=O)O)C(C)(C)C)N(C(=O)O)C(C)(C)C)cc2)c(Cc2ccccc2)s1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 13/20 0.59
XIAP P98170 5/20 0.42
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4991572 0.91 AOC3 (0.49) AOC3XIAP
SCHEMBL4982477 0.91 AOC3 (0.49) AOC3XIAP
SCHEMBL4873929 0.91 AOC3 (0.54) AOC3
SCHEMBL4875894 0.91 AOC3 (0.61) AOC3XIAP
SCHEMBL5496062 0.90 AOC3 (0.47) AOC3POLBMAPTRAB9A
SCHEMBL5551606 0.90 AOC3 (0.64) AOC3MAPT
SCHEMBL4866130 0.90 AOC3 (0.48) AOC3XIAP
SCHEMBL5545300 0.90 AOC3 (0.62) AOC3
SCHEMBL4873656 0.89 AOC3 (0.63) AOC3POLBMAPTRAB9A
SCHEMBL4871866 0.88 AOC3 (0.44) 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 202/4885XIAP 903/4885TSHR 4019/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885XIAP 2213/4885TSHR 2931/4885

“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.