SCHEMBL10044936

SCHEMBL10044936

CC(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.45
GAA P10253 1/20 0.44
EPHX1 P07099 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CTSK P43235 4/20 0.42
CTSS P25774 3/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 1/20 0.40
BTK Q06187 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSL P07711 2/20 0.38
CTSB P07858 1/20 0.38
ELANE P08246 1/20 0.37
CA12 O43570 2/20 0.37
CA14 Q9ULX7 1/20 0.37
MMP2 P08253 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL22285129 0.84 CTSS (0.47) AAK1GAAEPHX1HDAC4HDAC1
SCHEMBL16317185 0.84 GAA (0.47) AAK1GAAEPHX1HDAC4HDAC1
SCHEMBL22285128 0.84 CTSS (0.47) AAK1GAAEPHX1HDAC4HDAC1
SCHEMBL8134597 0.84 GAA (0.47) AAK1GAAEPHX1HDAC4HDAC1
SCHEMBL844822 0.84 CTSS (0.47) AAK1GAAEPHX1HDAC4HDAC1
SCHEMBL23005710 0.84 CTSS (0.47) AAK1GAAEPHX1HDAC4HDAC1
SCHEMBL844823 0.84 CTSS (0.47) AAK1GAAEPHX1HDAC4HDAC1
SCHEMBL22125910 0.84 CTSS (0.47) AAK1GAAEPHX1HDAC4HDAC1
SCHEMBL127389 0.84 CTSS (0.47) AAK1GAAEPHX1HDAC4HDAC1
SCHEMBL12018425 0.84 MMP2 (0.44) AAK1EPHX1CA1CA2CA12

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9526769-B2 Macrocylic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2016-12-27 US disclosed
US-9526769-B2 Macrocylic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2016-12-27 US disclosed
US-8940688-B2 Fluorinated tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-8785377-B2 Tetrazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-8785377-B2 Tetrazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-8361958-B2 Oximyl HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
US-8361958-B2 Oximyl HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
US-8268776-B2 mixture of cytochrome P450 monooxygenase inhibitor and protease inhibitor for anti-hepatitis C viral treatment; including other active drugs as interferon, ribavarin, and adamantine ENANTA PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8193346-B2 Process for making macrocyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
US-8101567-B2 Heteroaryl-containing tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20090130059-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-05-21 US disclosed
US-20090035271-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-05 US disclosed
US-20090035271-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-05 US disclosed
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080181868-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-07-31 US disclosed
US-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-05-29 US disclosed
US-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-05-29 US disclosed
US-20070281885-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281885-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2007-12-06 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 (6 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-20090035271-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 AAK1 3341/4885GAA 751/4885EPHX1 1473/4885
US-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS CPN1, HPN, HCCS AAK1 3596/4885GAA 497/4885EPHX1 410/4885
US-20080181868-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS HCCS, CPN1, HPN AAK1 4054/4885GAA 630/4885EPHX1 453/4885
US-20070281885-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS HCCS, CPN1, HPN AAK1 4054/4885GAA 630/4885EPHX1 453/4885
US-20090130059-A1 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 AAK1 3341/4885GAA 751/4885EPHX1 1473/4885
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS CPN1, HPN, HCCS AAK1 3596/4885GAA 497/4885EPHX1 410/4885

“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.