SCHEMBL12141237

SCHEMBL12141237

COC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@@]1(CS(=O)(=O)C(C)(C)C)[C@H](C)CCC[C@@H]1C)C1(C)CCCCC1)C2(C)C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 1/20 0.34
▸ CTSL P07711 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

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
SCHEMBL12141238 0.93 CTSB (0.34) CTSVCTSLCTSBELANECMA1
SCHEMBL12141231 0.86 CTSV (0.34) CTSVCTSLCTSBELANECMA1
SCHEMBL16316282 0.84 CTSV (0.38) CTSVCTSLCTSBELANECMA1
SCHEMBL12141210 0.81 CTSV (0.43) CTSVCTSLCTSBELANECMA1
SCHEMBL12141252 0.81 CTSV (0.36) CTSVCTSLCTSBELANECMA1
SCHEMBL8281076 0.80 CTSV (0.32) CTSVCTSLCTSBELANECMA1
SCHEMBL12141250 0.80 CTSV (0.36) CTSVCTSLCTSBELANECMA1
SCHEMBL13399542 0.80 CTSB (0.33) CTSVCTSLCTSBELANECMA1
SCHEMBL16316248 0.80 CTSB (0.33) CTSVCTSLCTSBELANECMA1
SCHEMBL12141256 0.80 CTSV (0.32) CTSVCTSLCTSBELANECMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067379-B2 Sulfur compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2011-11-29 — — US disclosed
US-8067379-B2 Sulfur compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2011-11-29 — — US disclosed
EP-1730110-B9 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2011-11-02 — — EP disclosed
US-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-02-22 — — US disclosed
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 CTSV 126/4885CTSL 486/4885CTSB 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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