SCHEMBL21579982

SCHEMBL21579982

CCC(=O)NC(C(=O)N[C@@H](C)C(=O)C(C)(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PSENEN Q9NZ42 1/20 0.39
CYP2C9 P11712 1/20 0.35
CASP1 P29466 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL20349764 0.85 PSENEN (0.36) PSENENCASP1CTSSCTSK
SCHEMBL24992769 0.85
SCHEMBL19401583 0.85 PSENEN (0.36) PSENENCASP1CTSSCTSK
SCHEMBL10067158 0.84 CYP2C9 (0.41) CYP2C9CTSSCTSK
SCHEMBL18462936 0.84 CYP2C9 (0.41) CYP2C9CTSSCTSK
SCHEMBL18462935 0.84 CYP2C9 (0.43) CYP2C9
SCHEMBL22139575 0.81 PSENEN (0.38) PSENENCTSSCTSK
SCHEMBL19776873 0.81 CYP2C9 (0.38) CYP2C9
SCHEMBL17860258 0.81 CYP2C9 (0.38) CYP2C9
SCHEMBL19776047 0.80 CASP1 (0.39) CASP1

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-20190351066-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 2019-11-21 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-20190351066-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS LGMN, BUB1B, KIF15 PSENEN 1531/4885CYP2C9 4556/4885CASP1 910/4885

“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.