SCHEMBL12605389

SCHEMBL12605389

CCCC(NC(=O)C1CCCN1C(=O)C(NC(=O)OC(C)(C)C)C1CCC(F)(F)CC1)C(=O)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 16/20 0.42
▸ F2 P00734 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ CTRC Q99895 3/20 0.39
▸ ELANE P08246 1/20 0.38

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
SCHEMBL12605762 0.94 CMA1 (0.44) CMA1F2PRSS1CTRCELANE
SCHEMBL16329136 0.90 F2 (0.44) CMA1F2PRSS1CTRC
SCHEMBL12605461 0.90 F2 (0.44) CMA1F2PRSS1CTRC
SCHEMBL12605513 0.89 CMA1 (0.42) CMA1F2PRSS1ELANE
SCHEMBL12605867 0.88 CMA1 (0.39) CMA1F2PRSS1ELANE
SCHEMBL12605505 0.86 F2 (0.43) CMA1F2PRSS1CTRCELANE
SCHEMBL16329063 0.86 F2 (0.43) CMA1F2PRSS1CTRCELANE
SCHEMBL12605395 0.84 F2 (0.49) CMA1F2PRSS1CTRCELANE
SCHEMBL10140264 0.84 CTSV (0.47) CMA1ELANE
SCHEMBL13689612 0.84 CTSV (0.47) CMA1ELANE

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 2 patents. 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
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 CMA1 114/4885F2 569/4885PRSS1 5/4885

“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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