SCHEMBL30196313

SCHEMBL30196313

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.47
CTSS P25774 6/20 0.45
CAPN1 P07384 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARA Q07869 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL16579342 0.88 CTSK (0.42) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL8140881 0.86 CTSK (0.48) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL15289834 0.84 CTSK (0.49) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL23822627 0.83 CTSK (0.48) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL15289784 0.83 CTSK (0.48) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL25527211 0.83 CTSK (0.48) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL805180 0.83 CTSK (0.44) CTSKCTSSCAPN1CYP1A2CYP2C9
SCHEMBL15289799 0.83 CTSK (0.49) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL15936967 0.83 CTSK (0.49) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL20170528 0.83 CTSK (0.49) CTSKCTSSCAPN1CTSLCTSB

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-20230002422-A1 REACTION AGENT FOR AMIDE REACTIONS AND AMIDE COMPOUND PRODUCTION METHOD USING SAME CHUBU UNIVERSITY EDUCATIONAL FOUNDATION (JP) 2023-01-05 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-20230002422-A1 REACTION AGENT FOR AMIDE REACTIONS AND AMIDE COMPOUND PRODUCTION METHOD USING SAME NAAA, NOTUM, ASNS CTSK 791/4885CTSS 483/4885CAPN1 1472/4885

“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.