SCHEMBL7613501

SCHEMBL7613501

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PSENEN Q9NZ42 1/20 0.55
▸ CTSD P07339 6/20 0.53
▸ REN P00797 2/20 0.53
▸ CTSK P43235 4/20 0.45
▸ CTSB P07858 3/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ CASP4 P49662 1/20 0.45
▸ CASP5 P51878 1/20 0.45
▸ CASP9 P55211 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ CASP8 Q14790 1/20 0.45
▸ CASP10 Q92851 1/20 0.45
▸ CTSS P25774 1/20 0.45

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
SCHEMBL7613504 1.00 PSENEN (0.55) PSENENCTSDRENCTSKCTSB
SCHEMBL5176929 0.96 CTSD (0.53) PSENENCTSDRENCTSKCTSB
SCHEMBL22989798 0.91 CTSD (0.44) PSENENCTSDRENCTSKCTSS
SCHEMBL7610443 0.91 CTSS (0.48) PSENENCTSDRENCTSKCASP1
SCHEMBL7610438 0.91 CTSS (0.48) PSENENCTSDRENCTSKCASP1
SCHEMBL30544517 0.90 PSENEN (0.47) PSENENCTSDRENCTSKCTSB
SCHEMBL30544518 0.90 PSENEN (0.47) PSENENCTSDRENCTSKCTSB
SCHEMBL9754306 0.84 PSENEN (0.71) PSENENCTSDRENCTSKCTSS
SCHEMBL10144106 0.81 PSENEN (0.45) PSENENCTSDRENCTSKCTSS
SCHEMBL21737914 0.81 REN (0.47) PSENENRENCTSKCTSBCTSS

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-20020132776-A1 Inhibitors of transglutaminase N-ZYME BIOTECH GMBH (DE) 2002-09-19 — — 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-20020132776-A1 Inhibitors of transglutaminase TGM2, GNMT, TGM1 PSENEN 1959/4885CTSD 2966/4885REN 1699/4885

“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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