SCHEMBL7728040

SCHEMBL7728040

CCCC(NC(=O)OC(C)(C)C)C(O)C(=O)NCC(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.49
CTSS P25774 3/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL14401962 1.00 CTSK (0.49) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL7735308 0.90 CTSK (0.47) CTSKCTSSCA1CA2CA7
SCHEMBL8353044 0.87 CTSK (0.50) CTSKCTSSCA1CA2CA7
SCHEMBL3226823 0.87 CTSK (0.50) CTSKCTSSCA1CA2CA7
SCHEMBL10138729 0.86 CA1 (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL13688686 0.86 CA1 (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL7733585 0.85 CTSK (0.50) CTSKCTSSCA1CA2CA7
SCHEMBL16348721 0.85 SYK (0.41) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL6373993 0.84 CYP1A2 (0.47) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL8353220 0.83 SYK (0.51) CTSKCTSSCYP1A2CYP2C9CYP2C19

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-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-6800434-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2004-10-05 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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CTSK 243/4885CTSS 112/4885CYP1A2 3356/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP CTSK 243/4885CTSS 112/4885CYP1A2 3356/4885

“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.