SCHEMBL4875590

SCHEMBL4875590

CC(=O)Nc1nc(CCc2ccc(N(C(=O)O)C(C)(C)C)cc2)c(Cc2ccc(C(=O)N(C)C)cc2)s1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.53
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
OGA O60502 1/20 0.35
XIAP P98170 1/20 0.35
MAOB P27338 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
SCHEMBL4867103 0.94 AOC3 (0.47) AOC3PDK2PDK4OGA
SCHEMBL4988127 0.90 AOC3 (0.54) AOC3PDK2PDK4XIAP
SCHEMBL4870892 0.85 AOC3 (0.66) AOC3XIAP
SCHEMBL4869358 0.85 AOC3 (0.48) AOC3PDK2PDK4
SCHEMBL4867182 0.85 AOC3 (0.56) AOC3PDK2PDK4
SCHEMBL4983295 0.85 AOC3 (0.42) AOC3
SCHEMBL14019551 0.81 AOC3 (0.57) AOC3MAOB
SCHEMBL4870732 0.80 AOC3 (0.43) AOC3MAOB
SCHEMBL4876548 0.80 AOC3 (0.51) AOC3XIAPMAOB
Hydrochloric Acid SCHEMBL4872822 0.80 AOC3 (0.58) AOC3MAOB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 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 (3 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 202/4885PDK2 3662/4885PDK4 2675/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885PDK2 3637/4885PDK4 3091/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885PDK2 2421/4885PDK4 1277/4885

“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.