SCHEMBL23056348

SCHEMBL23056348

Cc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.58
CTSK P43235 15/20 0.58
CTSB P07858 4/20 0.58
CTSL P07711 2/20 0.58
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
ITGB3 P05106 1/20 0.45
ITGA2B P08514 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
SCHEMBL21663693 0.89 CTSS (0.57) CTSSCTSKCTSBCTSLITGB3
SCHEMBL15083610 0.89 CTSS (0.57) CTSSCTSKCTSBCTSLITGB3
SCHEMBL21689270 0.89 CTSS (0.57) CTSSCTSKCTSBCTSLITGB3
SCHEMBL16289538 0.89 CTSS (0.57) CTSSCTSKCTSBCTSLITGB3
SCHEMBL15083497 0.87 CTSS (0.57) CTSSCTSKCTSBCTSLPPARG
SCHEMBL16289144 0.87 CTSS (0.57) CTSSCTSKCTSBCTSLPPARG
SCHEMBL14803767 0.86 PPARG (0.53) CTSSCTSKCTSBCTSLPPARG
SCHEMBL20045974 0.86 PPARG (0.53) CTSSCTSKCTSBCTSLPPARG
SCHEMBL17910300 0.86 PPARG (0.55) CTSSCTSKCTSBCTSLPPARG
SCHEMBL17910302 0.86 PPARG (0.55) CTSSCTSKCTSBCTSLPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2813512-B1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI PHARMACEUTICAL CO LTD (JP) 2021-03-31 EP disclosed
US-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-03-04 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-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R CTSS 273/4885CTSK 188/4885CTSB 159/4885

“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.