SCHEMBL16329146

SCHEMBL16329146

C=CCNC(=O)C(=O)C(CCC)NC(=O)[C@@H]1CCCN1C(=O)C(NC(=O)NC(C)C)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BIRC2 Q13490 7/20 0.36
▸ F2 P00734 6/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ PRSS1 P07477 2/20 0.34
▸ PLAT P00750 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ F10 P00742 1/20 0.33
▸ PLG P00747 1/20 0.33
▸ XIAP P98170 1/20 0.33
▸ BIRC3 Q13489 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL12606094 1.00 BIRC2 (0.36) BIRC2F2OPRM1PRSS1PLAT
SCHEMBL12605993 0.94 CTSB (0.36) BIRC2F2PRSS1PLATNPSR1
SCHEMBL16329139 0.94 CTSB (0.36) BIRC2F2PRSS1PLATNPSR1
SCHEMBL12606105 0.92 NPSR1 (0.39) BIRC2F2PRSS1PLATNPSR1
SCHEMBL12606095 0.91 NPSR1 (0.40) BIRC2F2PRSS1PLATNPSR1
SCHEMBL12606093 0.89 CAPN1 (0.39) BIRC2F2XIAPBIRC3
SCHEMBL12606015 0.88 NPSR1 (0.36) BIRC2F2PRSS1PLATNPSR1
SCHEMBL12605988 0.88 RAB9A (0.34) BIRC2F2PRSS1PLATNPSR1
SCHEMBL12606103 0.87 TSHR (0.39) BIRC2ALDH1A1
SCHEMBL12605920 0.86 F2 (0.39) F2PRSS1

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 BIRC2 564/4885F2 569/4885OPRM1 4074/4885

“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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