SCHEMBL7747532

SCHEMBL7747532

O=C(O)CC(NC(=O)c1ccccc1NC(=O)OCc1ccccc1)C(=O)CF

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 14/20 0.80
CASP1 P29466 7/20 0.56
CASP7 P55210 1/20 0.56
CASP9 P55211 1/20 0.56
CASP6 P55212 1/20 0.56
CASP8 Q14790 1/20 0.56

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
SCHEMBL7744721 0.89 CASP3 (0.67) CASP3CASP1CASP7CASP9CASP6
SCHEMBL29825423 0.76 CASP3 (0.60) CASP3CASP1CASP7CASP9CASP6
SCHEMBL6607997 0.76 CASP3 (0.55) CASP3CASP7CASP9CASP6CASP8
SCHEMBL29384302 0.76 CASP3 (0.60) CASP3CASP1CASP7CASP9CASP6
SCHEMBL4466395 0.76 CASP3 (0.60) CASP3CASP1CASP7CASP9CASP6
SCHEMBL26071633 0.76 CASP3 (0.60) CASP3CASP1CASP7CASP9CASP6
SCHEMBL7744725 0.75 NPC1 (0.51) CASP3CASP1CASP7CASP9CASP6
SCHEMBL6606096 0.74 CASP3 (0.55) CASP3CASP7CASP9CASP6CASP8
SCHEMBL2233522 0.73 NPC1 (0.69) CASP3
SCHEMBL6607128 0.72 CASP3 (0.53) CASP3CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080199454-A1 Phospholipid covalently linked to caspase inhibitor, such that the active group is released at the required site of disease such as inflammatory and degenerative diseases MORTIMORE MICHAEL 2008-08-21 US disclosed
US-20080199454-A1 Phospholipid covalently linked to caspase inhibitor, such that the active group is released at the required site of disease such as inflammatory and degenerative diseases MORTIMORE MICHAEL 2008-08-21 US disclosed
US-7410956-B2 Caspase inhibitor prodrugs VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-08-12 US disclosed
US-7410956-B2 Caspase inhibitor prodrugs VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-08-12 US disclosed
US-6620782-B1 Substituted 2-aminobenzamide caspase inhibitors and the use thereof CYTOVIA, INC. 2003-09-16 US disclosed
US-6620782-B1 Substituted 2-aminobenzamide caspase inhibitors and the use thereof CYTOVIA, INC. 2003-09-16 US disclosed
WO-2003068242-A1 PHOSPHOLIPIDS AS CASPASE INHIBITOR PRODRUGS VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-08-21 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-20080199454-A1 Phospholipid covalently linked to caspase inhibitor, such that the active group is released at the required site of disease such as inflammatory and degenerative diseases CASP1, CASP5, CASP2 CASP3 5/4885CASP1 1/4885CASP7 6/4885

“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.