SCHEMBL948900

SCHEMBL948900

C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC(=O)OC1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 7/20 0.51
KLK7 P49862 6/20 0.51
CASP1 P29466 3/20 0.45
CASP3 P42574 3/20 0.45
CASP7 P55210 3/20 0.45
CASP6 P55212 3/20 0.45
CASP8 Q14790 3/20 0.45
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
CTSS P25774 1/20 0.42
PPARA Q07869 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL13197116 1.00 KLK5 (0.51) KLK5KLK7CASP1CASP3CASP7
SCHEMBL8721796 1.00 KLK5 (0.51) KLK5KLK7CASP1CASP3CASP7
SCHEMBL7275232 0.93 KLK5 (0.47) KLK5KLK7CASP1CASP3CASP7
SCHEMBL8763134 0.85 CASP1 (0.47) CASP1CASP3CASP7CASP6CASP8
SCHEMBL948901 0.85 KLK5 (0.43) KLK5KLK7CASP1CASP3CASP7
SCHEMBL12914558 0.84 CASP3 (0.48) CASP1CASP3CASP7CASP6CASP8
SCHEMBL13928449 0.83 CMA1 (0.50) KLK5KLK7
SCHEMBL3469547 0.83 CMA1 (0.50) KLK5KLK7
SCHEMBL3470234 0.82 CMA1 (0.48) KLK5KLK7CASP1
SCHEMBL13928541 0.82 CMA1 (0.48) KLK5KLK7CASP1

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-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-20 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-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 KLK5 605/4885KLK7 922/4885CASP1 5/4885

“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.