SCHEMBL17880442

SCHEMBL17880442

CC[C@H](C)C(=O)NCC/C=C\CCNC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 12/20 0.42
▸ CTSK P43235 11/20 0.42
▸ CTSB P07858 3/20 0.42
▸ CTSL P07711 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ AKT1 P31749 1/20 0.42
▸ PPARG P37231 3/20 0.40
▸ PPARA Q07869 3/20 0.40
▸ PPARD Q03181 2/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ PTPRA P18433 1/20 0.39

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
SCHEMBL17884338 0.85 CTSS (0.46) CTSSCTSKCTSBCTSLADORA1
SCHEMBL4295078 0.84 CTSS (0.48) CTSSCTSKCTSBCTSLADORA1
SCHEMBL28969900 0.83 CTSS (0.49) CTSSCTSKCTSBCTSLADORA1
SCHEMBL13102997 0.81 CTSS (0.47) CTSSCTSKCTSBCTSLADORA1
SCHEMBL16807987 0.81 CTSS (0.47) CTSSCTSKCTSBCTSLADORA1
SCHEMBL13970822 0.80 CTSS (0.50) CTSSCTSKCTSBCTSLADORA1
SCHEMBL15764469 0.80 CTSS (0.56) CTSSCTSKCTSBCTSL
SCHEMBL23007573 0.78 CTSS (0.44) CTSSCTSKCTSBCTSLADORA1
SCHEMBL29924138 0.78 PPARA (0.49) CTSSCTSKCTSBCTSLADORA1
SCHEMBL9555099 0.78 KMT2A (0.49) CTSSCTSKCTSBCTSLADORA1

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-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-30 — — 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-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES QPCT, PTMS, MAX CTSS 203/4885CTSK 194/4885CTSB 313/4885

“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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