SCHEMBL4452075

SCHEMBL4452075

CC(C)C/C=C/CC(C(=O)O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
GRIK1 P39086 3/20 0.36
SLC7A5 Q01650 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRIK2 Q13002 2/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL4452078 1.00 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1GRIK1SLC7A5
SCHEMBL2035310 0.93 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1GRIK1SLC7A5
SCHEMBL6871010 0.93 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1GRIK1SLC7A5
SCHEMBL2031192 0.93 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1GRIK1SLC7A5
SCHEMBL2031190 0.93 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1GRIK1SLC7A5
SCHEMBL8101229 0.93 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1GRIK1SLC7A5
SCHEMBL8096822 0.93 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1GRIK1SLC7A5
SCHEMBL2035309 0.93 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1GRIK1SLC7A5
SCHEMBL9575679 0.84 GRIK1 (0.47) SLC1A3SLC1A2SLC1A1GRIK1TDP1
SCHEMBL9575678 0.84 GRIK1 (0.47) SLC1A3SLC1A2SLC1A1GRIK1TDP1

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 16 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-7595299-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-29 US disclosed
US-7595299-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-29 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed
EP-1303487-A4 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORP (US) 2005-11-23 EP disclosed
US-20050176648-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING-PLOUGH CORPORATION (US) 2005-08-11 US disclosed
EP-1303487-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS Schering Corporation (US) 2003-04-23 EP disclosed
WO-2002008187-A9 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORP (US) 2003-01-03 WO disclosed
US-20020160962-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus MERCK SHARP & DOHME LLC 2002-10-31 US disclosed
WO-2002008187-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2002-01-31 WO disclosed
EP-0258183-B1 PROCESS FOR THE PREPARATION OF 5-AMINO-4-HYDROXYVALERIC-ACID DERIVATIVES CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed
US-5010189-A Processes for the preparation of 5-amino-4-hydroxy-valeric acid derivatives CIBA-GEIGY CORPORATION (US) 1991-04-23 US disclosed
US-4898977-A Processes for the preparation of 5-amino-4-hydroxyvaleric acid derivatives CIBA-GEIGY CORPORATION (US) 1990-02-06 US disclosed
EP-0258183-A2 Process for the preparation of 5-amino-4-hydroxyvaleric-acid derivatives CIBA-GEIGY AG (CH) 1988-03-02 EP 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-20020160962-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus VIP, HPN, HAVCR2 SLC1A3 4236/4885SLC1A2 4762/4885SLC1A1 4367/4885
US-20050176648-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus VIP, HPN, HAVCR2 SLC1A3 4236/4885SLC1A2 4762/4885SLC1A1 4367/4885

“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.