SCHEMBL13684875

SCHEMBL13684875

COC(=O)C(C)(C)CCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.37
DGAT1 O75907 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MMP8 P22894 1/20 0.34
CA1 P00915 3/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
CA2 P00918 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31

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
SCHEMBL3995330 0.89 CYP4F2 (0.39) DGAT1MMP8CA1CYP4F2CYP4A11
SCHEMBL10496506 0.84 CCR2 (0.38) CCR2L3MBTL1MMP8CA1CYP4F2
SCHEMBL14994678 0.83 GABRP (0.39) DGAT1MMP8CYP4F2CYP4A11
SCHEMBL27691418 0.83 CCR2 (0.34) CCR2L3MBTL1MMP8CA1CYP4F2
SCHEMBL6199055 0.83 ACACB (0.42) DGAT1CA1CYP4F2CYP4A11CA2
SCHEMBL10595182 0.82 GABRR1 (0.42) DGAT1CYP4F2CYP4A11ACACBACACA
SCHEMBL20126571 0.82 CA1 (0.36) DGAT1MMP8CA1CYP4F2CYP4A11
SCHEMBL2022397 0.81 DGAT1 (0.44) DGAT1CYP4F2CYP4A11
SCHEMBL232278 0.80 L3MBTL1 (0.36) DGAT1L3MBTL1MMP8CA1
SCHEMBL22622717 0.79 DGAT1 (0.33) CCR2DGAT1L3MBTL1MMP8CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595299-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-29 US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease 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-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 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-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed
US-7163778-B2 Anti-reflection film material and a substrate having an anti-reflection film and a method for forming a pattern SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-01-16 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 CCR2 1172/4885DGAT1 2997/4885L3MBTL1 1897/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CCR2 1172/4885DGAT1 2997/4885L3MBTL1 1897/4885

“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.