SCHEMBL12605505

SCHEMBL12605505

CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC2CCCCC2C1)C(=O)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.43
▸ PRSS1 P07477 2/20 0.43
▸ CMA1 P23946 13/20 0.40
▸ CTRC Q99895 1/20 0.39
▸ F10 P00742 1/20 0.38
▸ PLG P00747 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL16329063 1.00 F2 (0.43) F2PRSS1CMA1CTRCF10
SCHEMBL12605461 0.92 F2 (0.44) F2PRSS1CMA1CTRCF10
SCHEMBL16329136 0.92 F2 (0.44) F2PRSS1CMA1CTRCF10
SCHEMBL12605507 0.90 CMA1 (0.40) F2PRSS1CMA1CTRCELANE
SCHEMBL16329060 0.90 CMA1 (0.40) F2PRSS1CMA1CTRCELANE
SCHEMBL16329122 0.89 CMA1 (0.43) F2PRSS1CMA1CTRCELANE
SCHEMBL12605502 0.89 CMA1 (0.43) F2PRSS1CMA1CTRCELANE
SCHEMBL12606123 0.87 F2 (0.38) F2PRSS1CMA1MEN1KMT2A
SCHEMBL16329157 0.87 F2 (0.38) F2PRSS1CMA1MEN1KMT2A
SCHEMBL12605389 0.86 CMA1 (0.42) F2PRSS1CMA1CTRCELANE

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 F2 569/4885PRSS1 5/4885CMA1 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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