SCHEMBL5358514

SCHEMBL5358514

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(C)=O)[C@H](OCc1ccccc1Cl)C(=O)O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.50
BACE1 P56817 2/20 0.45
BACE2 Q9Y5Z0 2/20 0.45
HRH1 P35367 1/20 0.44
REN P00797 1/20 0.43
CPA1 P15085 1/20 0.43
CPA2 P48052 1/20 0.43
CPA4 Q9UI42 1/20 0.43
OPRD1 P41143 5/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL12522504 0.82 CASP1 (0.54) CASP1BACE1BACE2HRH1REN
SCHEMBL14369991 0.82 CASP1 (0.54) CASP1BACE1BACE2HRH1REN
SCHEMBL949558 0.82 CASP1 (0.54) CASP1BACE1BACE2HRH1REN
SCHEMBL949560 0.78 CASP1 (0.45) CASP1BACE1BACE2CPA1CPA2
SCHEMBL2314756 0.78 CASP1 (0.61) CASP1BACE1BACE2CPA1CPA2
SCHEMBL2314769 0.78 CASP1 (0.61) CASP1BACE1BACE2CPA1CPA2
SCHEMBL14370014 0.77 CASP1 (0.60) CASP1BACE1BACE2RENCPA1
SCHEMBL9241543 0.76 CASP1 (0.67) CASP1BACE1BACE2OPRD1
SCHEMBL27825824 0.76 CASP1 (0.67) CASP1BACE1BACE2OPRD1
SCHEMBL29030118 0.75 CASP1 (0.64) CASP1BACE1BACE2OPRD1

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-7288624-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-30 US disclosed
US-20020099042-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2002-07-25 US disclosed
US-5847135-A Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS, INCORPORATED (US) 1998-12-08 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-20020099042-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1RN CASP1 6/4885BACE1 12/4885BACE2 36/4885

“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.