SCHEMBL12605456

SCHEMBL12605456

CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.42
▸ CTSK P43235 3/20 0.42
▸ CMA1 P23946 13/20 0.41
▸ F2 P00734 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CTSV O60911 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ CTSF Q9UBX1 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CTRC Q99895 1/20 0.39

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
SCHEMBL12605473 1.00 CTSS (0.42) CTSSCTSKCMA1F2PRSS1
SCHEMBL12605523 0.98 CTSS (0.44) CTSSCTSKCMA1F2PRSS1
SCHEMBL12605487 0.98 CTSS (0.44) CTSSCTSKCMA1F2PRSS1
SCHEMBL16329066 0.97 CTSS (0.43) CTSSCTSKCMA1F2PRSS1
SCHEMBL12605529 0.97 CTSS (0.43) CTSSCTSKCMA1F2PRSS1
SCHEMBL16329060 0.92 CMA1 (0.40) CTSSCTSKCMA1F2PRSS1
SCHEMBL12605507 0.92 CMA1 (0.40) CTSSCTSKCMA1F2PRSS1
SCHEMBL12605502 0.89 CMA1 (0.43) CTSSCTSKCMA1F2PRSS1
SCHEMBL16329122 0.89 CMA1 (0.43) CTSSCTSKCMA1F2PRSS1
SCHEMBL16329136 0.89 F2 (0.44) CMA1F2PRSS1CTRC

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-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 — — 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-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP CTSS 112/4885CTSK 243/4885CMA1 114/4885

“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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