SCHEMBL473166

SCHEMBL473166

CCC(C(=O)NC(CC(=O)O)C(=O)CF)n1cccc(NC(=O)Cc2cccc(C)c2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 20/20 0.55
CASP3 P42574 1/20 0.55
CASP7 P55210 1/20 0.55
CASP8 Q14790 1/20 0.55

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
SCHEMBL473164 1.00 CASP1 (0.55) CASP1CASP3CASP7CASP8
SCHEMBL473163 1.00 CASP1 (0.55) CASP1CASP3CASP7CASP8
SCHEMBL473237 0.92 CASP1 (0.62) CASP1CASP3CASP7CASP8
SCHEMBL27654106 0.92 CASP1 (0.62) CASP1CASP3CASP7CASP8
SCHEMBL473238 0.92 CASP1 (0.62) CASP1CASP3CASP7CASP8
SCHEMBL474371 0.87 CASP1 (0.59) CASP1CASP3CASP7CASP8
SCHEMBL474368 0.87 CASP1 (0.59) CASP1CASP3CASP7CASP8
SCHEMBL474370 0.87 CASP1 (0.59) CASP1CASP3CASP7CASP8
SCHEMBL473175 0.84 CASP1 (0.47) CASP1CASP3CASP7CASP8
SCHEMBL473174 0.84 CASP1 (0.47) CASP1CASP3CASP7CASP8

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
EP-2412707-A2 3-[2-(3-Amino-2-oxo-2H-pyridin-1-yl)-acetylamino]-4-oxo-pentanoic acid derivatives and their use as caspase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-01 EP disclosed
US-7960415-B2 Caspase inhibitors and uses thereof Vertex Pharmaceutical Incoporated (US) 2011-06-14 US disclosed
US-20090093416-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-04-09 US disclosed
US-20040242494-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-12-02 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-20040242494-A1 Caspase inhibitors and uses thereof CASP1, CASP5, CASP3 CASP1 1/4885CASP3 3/4885CASP7 7/4885
US-20090093416-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP5, CASP3 CASP1 1/4885CASP3 3/4885CASP7 7/4885

“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.