SCHEMBL4869358

SCHEMBL4869358

CNC(=O)c1ccc(CCc2sc(NC(C)=O)nc2CCc2ccc(N(C(=O)O)C(C)(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 14/20 0.48
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.37
PLK1 P53350 1/20 0.37
SCD O00767 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
COPS5 Q92905 1/20 0.36

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
SCHEMBL4988127 0.95 AOC3 (0.54) AOC3SMN1; SMN2RXFP1PLK1PDK2
SCHEMBL4867103 0.89 AOC3 (0.47) AOC3PDK2PDK4
SCHEMBL4875590 0.85 AOC3 (0.53) AOC3PDK2PDK4
SCHEMBL4984683 0.84 AOC3 (0.44) AOC3SMN1; SMN2RXFP1SCDPDK2
SCHEMBL4985325 0.83 AOC3 (0.52) AOC3SMN1; SMN2RXFP1PLK1
SCHEMBL4870892 0.81 AOC3 (0.66) AOC3SMN1; SMN2
SCHEMBL4984689 0.81 AOC3 (0.43) AOC3SMN1; SMN2RXFP1SCD
SCHEMBL27626596 0.80 AOC3 (0.49) AOC3SMN1; SMN2RXFP1
SCHEMBL4982477 0.80 AOC3 (0.49) AOC3SMN1; SMN2RXFP1PDK2PDK4
SCHEMBL27626597 0.80 AOC3 (0.48) AOC3SMN1; SMN2RXFP1PLK1SCD

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 3 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-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 (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-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885SMN1; SMN2 966/4885RXFP1 191/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885SMN1; SMN2 3587/4885RXFP1 1319/4885

“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.