SCHEMBL6812919

SCHEMBL6812919

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C(=O)c1nnc(SCCN(C)C)o1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.48
CTSS P25774 7/20 0.46
CTSL P07711 6/20 0.46
CTSB P07858 2/20 0.46
CAPN1 P07384 1/20 0.43

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
Hydrochloric Acid SCHEMBL6808070 0.99 CTSK (0.47) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5497649 0.87 CTSK (0.51) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL6808023 0.87 CTSL (0.49) CTSKCTSSCTSLCTSBCAPN1
Hydrochloric Acid SCHEMBL6809074 0.86 CTSL (0.49) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5495744 0.76 CTSK (0.55) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5490273 0.75 CTSK (0.52) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5496377 0.74 CTSK (0.57) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5493843 0.73 CAPN1 (0.54) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5492843 0.73 CTSK (0.56) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL6808872 0.72 TSHR (0.52) CTSKCTSS

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-20040204368-A1 Oxadiazole derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 US claimed

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-20040204368-A1 Oxadiazole derivative compounds and drugs containing these compounds as the active ingredient ACIN1, CASP3, CASP7 CTSK 451/4885CTSS 36/4885CTSL 263/4885

“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.