SCHEMBL13815136

SCHEMBL13815136

CNN1CCC(=O)N2CCCC(C(C)=O)N2C1=O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.35
MME P08473 1/20 0.33
CASP1 P29466 2/20 0.30

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
SCHEMBL10199922 0.82 ACE (0.37) ACEMME
SCHEMBL12747495 0.80
SCHEMBL13036956 0.79 ACE (0.41) ACEMMECASP1
SCHEMBL8278547 0.79 MME (0.30) ACEMME
SCHEMBL8279386 0.79 MME (0.30) ACEMME
SCHEMBL10201670 0.77 FKBP1A (0.36) ACEMME
SCHEMBL8280348 0.76
SCHEMBL13815133 0.76 ACE (0.46) ACEMMECASP1
SCHEMBL10201656 0.73 CASP3 (0.36) ACE
SCHEMBL8278544 0.73

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012430-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 US disclosed
US-8314141-B2 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-20 US disclosed
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-04 US disclosed
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-04 US disclosed
US-7388017-B2 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-17 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 (2 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-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE HPN, PRSS1, PRSS3 ACE 65/4885MME 31/4885CASP1 359/4885
US-20130012430-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE HPN, PRSS1, PRSS3 ACE 65/4885MME 31/4885CASP1 359/4885

“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.