SCHEMBL4988932

SCHEMBL4988932

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 13/20 0.56
XIAP P98170 3/20 0.38
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
RORC P51449 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL4875902 0.92 AOC3 (0.58) AOC3RORC
SCHEMBL4982481 0.92 AOC3 (0.48) AOC3RXFP1
SCHEMBL4991579 0.92 AOC3 (0.48) AOC3XIAP
SCHEMBL4873931 0.92 AOC3 (0.50) AOC3RORC
SCHEMBL5496093 0.91 AOC3 (0.59) AOC3POLB
SCHEMBL5496066 0.91 AOC3 (0.44) AOC3POLBMAPTRAB9A
SCHEMBL5551608 0.91 AOC3 (0.60) AOC3RORCRXFP1
SCHEMBL4866140 0.91 AOC3 (0.46) AOC3XIAPRORC
SCHEMBL4873660 0.90 AOC3 (0.61) AOC3POLBMAPTRAB9ARORC
SCHEMBL4871878 0.89 AOC3 (0.42) 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.