SCHEMBL948901

SCHEMBL948901

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 8/20 0.43
KLK7 P49862 7/20 0.43
CASP1 P29466 4/20 0.40
CASP3 P42574 4/20 0.40
CASP7 P55210 4/20 0.40
CASP6 P55212 4/20 0.40
CASP8 Q14790 4/20 0.40
CTSS P25774 1/20 0.39
SYK P43405 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL8763141 0.85 ALDH1A1 (0.45) CASP1CASP3CASP7CASP6CASP8
SCHEMBL8721796 0.85 KLK5 (0.51) KLK5KLK7CASP1CASP3CASP7
SCHEMBL948900 0.85 KLK5 (0.51) KLK5KLK7CASP1CASP3CASP7
SCHEMBL13197116 0.85 KLK5 (0.51) KLK5KLK7CASP1CASP3CASP7
SCHEMBL948808 0.81 CASP3 (0.38) CASP1CASP3CASP7CASP6CASP8
SCHEMBL7275232 0.80 KLK5 (0.47) KLK5KLK7CASP1CASP3CASP7
SCHEMBL949530 0.78 CASP3 (0.38) CASP1CASP3CASP7CASP6CASP8
SCHEMBL950442 0.78 CASP3 (0.36) CASP1CASP3CASP7CASP6CASP8
SCHEMBL12914558 0.78 CASP3 (0.48) CASP1CASP3CASP7CASP6CASP8
SCHEMBL948261 0.77 CASP3 (0.35) CASP1CASP3CASP7CASP6CASP8

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.