SCHEMBL703741

SCHEMBL703741

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
PPARA Q07869 8/20 0.42
PPARG P37231 7/20 0.42
CTSK P43235 8/20 0.41
CTSS P25774 5/20 0.41
ACE P12821 1/20 0.41
PPARD Q03181 2/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4162336 1.00 SMN1; SMN2 (0.43) SMN1; SMN2PPARAPPARGCTSKCTSS
SCHEMBL4578073 1.00 SMN1; SMN2 (0.43) SMN1; SMN2PPARAPPARGCTSKCTSS
SCHEMBL1645172 0.88 SMN1; SMN2 (0.45) SMN1; SMN2PPARAPPARGCTSKCTSS
SCHEMBL1645174 0.88 SMN1; SMN2 (0.45) SMN1; SMN2PPARAPPARGCTSKCTSS
SCHEMBL1940630 0.87 CTSK (0.46) SMN1; SMN2PPARAPPARGCTSKCTSS
SCHEMBL14031160 0.87 CTSK (0.46) SMN1; SMN2PPARAPPARGCTSKCTSS
SCHEMBL1940631 0.87 CTSK (0.46) SMN1; SMN2PPARAPPARGCTSKCTSS
SCHEMBL13925030 0.86 SMN1; SMN2 (0.57) SMN1; SMN2CTSKCTSSGAAKMT2A
SCHEMBL13925029 0.86 SMN1; SMN2 (0.57) SMN1; SMN2CTSKCTSSGAAKMT2A
SCHEMBL1943040 0.85 CTSK (0.48) SMN1; SMN2PPARAPPARGCTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112689507-A Amino acid compounds having unbranched linkers and methods of use thereof 普利安特治疗公司 2021-04-20 CN disclosed
EP-2143727-B1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARM INC (US) 2015-01-21 EP disclosed
US-8236807-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-08-07 US disclosed
US-8124584-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-RE42375-E1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-05-17 US disclosed
US-20100015092-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS NAKAJIMA SUANNE 2010-01-21 US disclosed
EP-2143727-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors Enanta Pharmaceuticals, Inc. (US) 2010-01-13 EP disclosed
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS MIAO ZHENWEI 2009-12-10 US disclosed
EP-1615613-B1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2009-11-04 EP disclosed
US-7601709-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-7368452-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-05-06 US disclosed
EP-1590442-A4 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2007-07-18 EP disclosed
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
EP-1590442-A3 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-03 EP disclosed
EP-1590442-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-02 EP disclosed
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-07-14 US disclosed
US-20040266668-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2004-12-30 US disclosed
US-20040180815-A1 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors NAKAJIMA SUANNE (US) 2004-09-16 US disclosed
WO-2004072243-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-08-26 WO 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-20100015092-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, HPN SMN1; SMN2 3819/4885PPARA 3686/4885PPARG 4272/4885
US-20040266668-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, CTSC SMN1; SMN2 3792/4885PPARA 3604/4885PPARG 4224/4885
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 SMN1; SMN2 2921/4885PPARA 3600/4885PPARG 4087/4885
US-20040180815-A1 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 SMN1; SMN2 3078/4885PPARA 2861/4885PPARG 3675/4885
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, HPN SMN1; SMN2 3819/4885PPARA 3686/4885PPARG 4272/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 SMN1; SMN2 3065/4885PPARA 3507/4885PPARG 4041/4885

“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.