SCHEMBL6606096

SCHEMBL6606096

O=C(O)CC(NC(=O)c1ccccc1Cl)C(=O)CF

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 15/20 0.55
PYGL P06737 3/20 0.47
POLB P06746 1/20 0.46
CASP7 P55210 1/20 0.46
CASP9 P55211 1/20 0.46
CASP6 P55212 1/20 0.46
CASP8 Q14790 1/20 0.46
GPR139 Q6DWJ6 1/20 0.44

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
SCHEMBL26264262 0.85 PYGL (0.60) PYGLPOLBGPR139
SCHEMBL6607997 0.84 CASP3 (0.55) CASP3PYGLPOLBCASP7CASP9
SCHEMBL6607128 0.81 CASP3 (0.53) CASP3
SCHEMBL6606162 0.81 CASP3 (0.52) CASP3CASP7CASP9CASP6CASP8
SCHEMBL6607165 0.77 CASP3 (0.52) CASP3
SCHEMBL6610883 0.77 HPGDS (0.53) CASP3CASP7CASP9CASP6CASP8
SCHEMBL6609614 0.77 GRN (0.56) CASP3POLB
SCHEMBL6608901 0.76 CASP3 (0.53) CASP3
SCHEMBL6610749 0.76 ADAM17 (0.48) CASP3
SCHEMBL12985287 0.75 ITGB1 (0.54) POLBGPR139

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1163208-B1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2004-05-12 EP disclosed
US-6632962-B2 N-(2-carboxy-1-haloacetylethyl)arylamide derivatives as inhibitors of caspase and cellular apoptosis. VERTEX PHARMACEUTICALS INCORPORATED 2003-10-14 US disclosed
US-20020132833-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2002-09-19 US disclosed
EP-1163208-A4 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2002-07-03 EP disclosed
EP-1163208-A2 CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2001-12-19 EP disclosed
WO-2001010383-A2 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-02-15 WO 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-20020132833-A1 Caspase inhibitors and uses thereof CASP1, CASP3, CASP7 CASP3 2/4885PYGL 1720/4885POLB 3179/4885

“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.