SCHEMBL7651598

SCHEMBL7651598

CC(C)C[C@H](NC(=O)c1ccccn1)C(=O)NCC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.50
▸ PSMB5 P28074 1/20 0.44
▸ CTSS P25774 4/20 0.41
▸ CTSB P07858 4/20 0.41
▸ CNR2 P34972 2/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ CTSL P07711 4/20 0.39
▸ USP30 Q70CQ3 2/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ GRN P28799 1/20 0.37
▸ SORT1 Q99523 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL7464745 0.82 CTSK (0.71) CTSKPSMB5CTSSCTSBCNR2
SCHEMBL10784901 0.76 CTSK (0.56) CTSKPSMB5CTSSCTSBCNR2
SCHEMBL7468216 0.73 CTSK (0.53) CTSKPSMB5CTSSCTSBCNR2
SCHEMBL7248005 0.73 CTSK (0.59) CTSKPSMB5CTSSSCN9AUSP30
SCHEMBL7563718 0.71 CTSK (0.69) CTSKCTSSCTSBCNR2CTSL
SCHEMBL7560380 0.71 CTSK (0.49) CTSKPSMB5CTSSCTSBCNR2
SCHEMBL7463889 0.68 CTSL (0.49) CTSKPSMB5CTSSCTSBCNR2
SCHEMBL7530060 0.68 CTSK (0.69) CTSKCTSSCTSBCTSLKMT2A
SCHEMBL7160519 0.67 CTSK (0.63) CTSKCTSSCTSBCTSL
SCHEMBL6923555 0.67 CTSK (1.00) CTSKCTSSCTSBCTSL

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-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 — — 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-20020065230-A1 Protease inhibitors PRSS1, DNPEP, CTSZ CTSK 22/4885PSMB5 487/4885CTSS 10/4885

“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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