SCHEMBL10138494

SCHEMBL10138494

C=CC[C@]1(C)C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NR1H2 P55055 2/20 0.30
ABCB1 P08183 1/20 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
SCHEMBL1799913 1.00 HSD17B10 (0.36) HSD17B10HDAC8SMN1; SMN2NR1H2ABCB1
SCHEMBL1785816 1.00 HSD17B10 (0.36) HSD17B10HDAC8SMN1; SMN2NR1H2ABCB1
SCHEMBL1786015 0.90 HDAC8 (0.35) HSD17B10HDAC8SMN1; SMN2NR1H2ABCB1
SCHEMBL28777348 0.86 HSD17B10 (0.36) HSD17B10HDAC8SMN1; SMN2NR1H2
SCHEMBL5512140 0.85 HSD17B10 (0.36) HSD17B10HDAC8SMN1; SMN2NR1H2
SCHEMBL5512137 0.85 HSD17B10 (0.36) HSD17B10HDAC8SMN1; SMN2NR1H2
SCHEMBL17181248 0.84 HSD17B10 (0.39) HSD17B10HDAC8SMN1; SMN2NR1H2
SCHEMBL5507411 0.84 HSD17B10 (0.35) HSD17B10HDAC8SMN1; SMN2
SCHEMBL5507410 0.84 HSD17B10 (0.35) HSD17B10HDAC8SMN1; SMN2
SCHEMBL1781623 0.82 HSD17B10 (0.37) HSD17B10HDAC8SMN1; SMN2NR1H2

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 12 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-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-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-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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 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 (3 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 HSD17B10 1968/4885HDAC8 3598/4885SMN1; SMN2 3286/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP HSD17B10 1968/4885HDAC8 3598/4885SMN1; SMN2 3286/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP HSD17B10 1968/4885HDAC8 3598/4885SMN1; SMN2 3286/4885

“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.