SCHEMBL12605993

SCHEMBL12605993

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ BIRC2 Q13490 6/20 0.35
▸ F2 P00734 6/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ XIAP P98170 2/20 0.33
▸ PRSS1 P07477 2/20 0.33
▸ PLAT P00750 1/20 0.33
▸ FKBP5 Q13451 1/20 0.33
▸ F10 P00742 1/20 0.32
▸ PLG P00747 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ BIRC3 Q13489 1/20 0.32

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
SCHEMBL16329139 1.00 CTSB (0.36) CTSBGAACYP2C9CYP2C19BIRC2
SCHEMBL16329146 0.94 BIRC2 (0.36) BIRC2F2XIAPPRSS1PLAT
SCHEMBL12606094 0.94 BIRC2 (0.36) BIRC2F2XIAPPRSS1PLAT
SCHEMBL12606105 0.90 NPSR1 (0.39) CTSBBIRC2F2EPHX1PRSS1
SCHEMBL12606091 0.89 CAPN1 (0.38) BIRC2XIAPBIRC3
SCHEMBL12606095 0.89 NPSR1 (0.40) CTSBBIRC2F2EPHX1PRSS1
SCHEMBL12605990 0.86 FKBP5 (0.34) BIRC2F2PRSS1PLATFKBP5
SCHEMBL12606015 0.86 NPSR1 (0.36) BIRC2F2PRSS1PLATFKBP5
SCHEMBL12605988 0.85 RAB9A (0.34) GAABIRC2F2PRSS1PLAT
SCHEMBL12606103 0.85 TSHR (0.39) BIRC2EPHX1

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 CTSB 124/4885GAA 725/4885CYP2C9 3254/4885

“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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