SCHEMBL16316280

SCHEMBL16316280

CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2C([C@H]1C(=O)O)C2(C)C)C1(C)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.34
▸ CTSV O60911 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ CMA1 P23946 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ CTSF Q9UBX1 1/20 0.34
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ BTK Q06187 1/20 0.32

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
SCHEMBL14583893 1.00 CTSL (0.34) CTSLCTSVCTSBELANECMA1
SCHEMBL16300723 0.82 BTK (0.37) CTSLCTSVCTSBELANECMA1
SCHEMBL11936290 0.82 BTK (0.37) CTSLCTSVCTSBELANECMA1
SCHEMBL8225109 0.82 BTK (0.37) CTSLCTSVCTSBELANECMA1
SCHEMBL13689038 0.82 BTK (0.37) CTSLCTSVCTSBELANECMA1
SCHEMBL8278853 0.82 BTK (0.37) CTSLCTSVCTSBELANECMA1
SCHEMBL16316252 0.82 CTSK (0.33) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL25277749 0.81 CTSV (0.44) CTSLCTSVCTSBELANECMA1
SCHEMBL10138844 0.81 CTSV (0.44) CTSLCTSVCTSBELANECMA1
SCHEMBL8271424 0.81 CTSV (0.44) CTSLCTSVCTSBELANECMA1

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-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-02-22 — — 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-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease PRSS1, PRSS3, HPN CTSL 486/4885CTSV 126/4885CTSB 344/4885

“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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