SCHEMBL12606101

SCHEMBL12606101

CCCC(NC(=O)[C@@H]1CCCN1C(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCCNC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 7/20 0.40
▸ F2 P00734 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ EPHX1 P07099 1/20 0.39
▸ ITGB3 P05106 6/20 0.39
▸ ITGA2B P08514 6/20 0.39
▸ CTSK P43235 2/20 0.38
▸ 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
SCHEMBL12606068 0.90 CMA1 (0.41) CMA1F2PRSS1ITGB3ITGA2B
SCHEMBL12606119 0.89 CMA1 (0.45) CMA1F2PRSS1CTSK
SCHEMBL12606207 0.89 F2 (0.39) CMA1F2PRSS1ITGB3ITGA2B
SCHEMBL14628551 0.89 F2 (0.39) CMA1F2PRSS1ITGB3ITGA2B
SCHEMBL12605461 0.89 F2 (0.44) CMA1F2PRSS1ITGB3ITGA2B
SCHEMBL16329136 0.89 F2 (0.44) CMA1F2PRSS1ITGB3ITGA2B
SCHEMBL12606121 0.89 CMA1 (0.39) CMA1F2PRSS1ITGB3ITGA2B
SCHEMBL12606122 0.89 CMA1 (0.39) CMA1F2PRSS1ITGB3ITGA2B
SCHEMBL12605920 0.88 F2 (0.39) CMA1F2PRSS1CTSKELANE
SCHEMBL10139036 0.86 CMA1 (0.41) CMA1F2PRSS1ITGB3ITGA2B

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.

Send feedback