SCHEMBL7005599

SCHEMBL7005599

C=CCOC(=O)NC(CC(=O)OC(C)(C)C)C(=O)COCc1c(F)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 14/20 0.43
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4457274 0.94 CASP1 (0.47) CASP1
SCHEMBL8398037 0.94 CASP1 (0.47) CASP1
SCHEMBL1409729 0.86 CASP1 (0.48) CASP1
SCHEMBL645654 0.82 CASP1 (0.48) CASP1
SCHEMBL644624 0.82 CASP1 (0.48) CASP1
SCHEMBL12522514 0.80 CASP1 (0.63) CASP1
SCHEMBL949463 0.80 CASP1 (0.63) CASP1
SCHEMBL12450829 0.77 CASP1 (0.53) CASP1
SCHEMBL646855 0.75 CASP1 (0.50) CASP1SMN1; SMN2
SCHEMBL8764106 0.75 SMN1; SMN2 (0.47) CASP1SMN1; SMN2

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-1317414-A2 GAMMA-KETOACID DIPEPTIDES AS INHIBITORS OF CASPASE-3 Merck Frosst Canada & Co. (CA) 2003-06-11 EP disclosed
US-6525025-B2 Controlling apoptosis; cardiovascular disorders; central nervous system disorders MERCK FROSST CANADA & CO. (CA) 2003-02-25 US disclosed
US-20020165230-A1 Gamma-ketoacid dipeptides as inhibitors of caspase-3 MERCK CANADA INC. (CA) 2002-11-07 US disclosed
WO-2002020465-A2 GAMMA-KETOACID DIPEPTIDES AS INHIBITORS OF CASPASE-3 MERCK FROSST CANADA & CO. (CA) 2002-03-14 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-20020165230-A1 Gamma-ketoacid dipeptides as inhibitors of caspase-3 CASP3, CASP1, CASP10 CASP1 2/4885LMNA 748/4885SMN1; SMN2 2370/4885

“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.