SCHEMBL25985480

SCHEMBL25985480

C[C@H](NC(=O)C(N)=O)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)COc1c(F)c(F)cc(F)c1F

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 20/20 0.59
▸ CASP6 P55212 19/20 0.59
▸ CASP8 Q14790 19/20 0.59
▸ CASP7 P55210 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
SCHEMBL22390624 0.89 CASP3 (0.60) CASP3CASP6CASP8
SCHEMBL22390623 0.89 CASP3 (0.60) CASP3CASP6CASP8
SCHEMBL22404779 0.85 CASP3 (0.74) CASP3CASP6CASP8
SCHEMBL22404667 0.81 KLK7 (0.47) CASP3CASP6CASP8
SCHEMBL22390758 0.79 CASP3 (0.59) CASP3CASP6CASP8
SCHEMBL22404650 0.78 CASP3 (0.41) CASP3CASP6CASP8
Hydrochloric Acid SCHEMBL30220159 0.77 CASP3 (0.41) CASP3CASP6CASP8
SCHEMBL22404648 0.77 CASP3 (0.51) CASP3CASP6CASP8
SCHEMBL22404745 0.77 KLK7 (0.46) CASP3CASP6CASP8
SCHEMBL17261859 0.76 CASP3 (0.59) CASP3CASP6CASP8CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC. (KR) 2023-08-10 — — 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-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF CASP1, CASP3, CASP7 CASP3 2/4885CASP6 8/4885CASP8 9/4885

“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.

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