SCHEMBL23056456

SCHEMBL23056456

C=NCC(C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC#N)SSC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 15/20 0.41
▸ CTSK P43235 13/20 0.41
▸ CTSL P07711 3/20 0.41
▸ CTSB P07858 2/20 0.41
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL15083450 0.91 CTSS (0.41) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL23056474 0.91 CTSS (0.42) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL23056600 0.88 CYP1A2 (0.38) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL16288452 0.87 CTSS (0.39) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL16288449 0.87 CTSS (0.39) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL16288450 0.87 CTSS (0.39) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL23056574 0.83 PPARA (0.39) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL15083189 0.81 CTSS (0.42) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL16310468 0.78 CYP1A2 (0.38) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL23056579 0.78 CYP1A2 (0.38) CTSSCTSKCTSLCTSBCYP1A2

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-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 188/4885CTSL 120/4885

“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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