SCHEMBL8026867

SCHEMBL8026867

C=CCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@]1(C(=O)OCC)C[C@H]1C=C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC4 P56524 1/20 0.37
CYP3A4 P08684 1/20 0.36
ITGB3 P05106 7/20 0.33
ITGA2B P08514 7/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1943057 1.00 HDAC1 (0.39) HDAC1HDAC8HDAC4CYP3A4ITGB3
SCHEMBL17676680 1.00 HDAC1 (0.39) HDAC1HDAC8HDAC4CYP3A4ITGB3
SCHEMBL330255 1.00 HDAC1 (0.39) HDAC1HDAC8HDAC4CYP3A4ITGB3
SCHEMBL15747003 1.00 HDAC1 (0.39) HDAC1HDAC8HDAC4CYP3A4ITGB3
SCHEMBL3674630 1.00 HDAC1 (0.39) HDAC1HDAC8HDAC4CYP3A4ITGB3
SCHEMBL10254350 1.00 HDAC1 (0.39) HDAC1HDAC8HDAC4CYP3A4ITGB3
SCHEMBL13783718 1.00 HDAC1 (0.39) HDAC1HDAC8HDAC4CYP3A4ITGB3
SCHEMBL1943013 1.00 HDAC1 (0.39) HDAC1HDAC8HDAC4CYP3A4ITGB3
SCHEMBL13617078 1.00 HDAC1 (0.39) HDAC1HDAC8HDAC4CYP3A4ITGB3
SCHEMBL13610589 0.94 HDAC1 (0.37) HDAC1HDAC8HDAC4CYP3A4ITGB3

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 13 patents. 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-8809264-B2 Quinoxalinyl macrocyclic hepatitis C virus serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-19 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-RE42375-E1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-05-17 US disclosed
US-7718612-B2 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-7601709-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20090035272-A1 Pyridazinonyl Macrocyclic Hepatitis C Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2009-02-05 US disclosed
US-20080279821-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-13 US disclosed
US-20080181868-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-07-31 US disclosed
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2007-12-27 US disclosed
US-20070281884-A1 Macrocyclic 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
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 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-20090035272-A1 Pyridazinonyl Macrocyclic Hepatitis C Serine Protease Inhibitors PRSS1, SPINT2, TMPRSS4 HDAC1 658/4885HDAC8 1188/4885HDAC4 640/4885
US-20080279821-A1 ARYLPIPERIDINYL AND ARYLPYRROLIDINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, CTSC, SPINT2 HDAC1 643/4885HDAC8 839/4885HDAC4 503/4885
US-20080181868-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS HCCS, CPN1, HPN HDAC1 705/4885HDAC8 1362/4885HDAC4 455/4885
US-20070281885-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS HCCS, CPN1, HPN HDAC1 705/4885HDAC8 1362/4885HDAC4 455/4885
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors PRSS1, SPINT2, CTSC HDAC1 664/4885HDAC8 1308/4885HDAC4 569/4885
US-20070281884-A1 Macrocyclic oximyl hepatitis C protease inhibitors HCCS, HPN, CYP3A4 HDAC1 744/4885HDAC8 1037/4885HDAC4 411/4885

“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.