SCHEMBL5279387

SCHEMBL5279387

NC(CC(CO)CO)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 5/20 0.65
SLC7A5 Q01650 1/20 0.56
SLC1A3 P43003 5/20 0.50
SLC1A2 P43004 5/20 0.50
PTGS1 P23219 1/20 0.48
SLC7A11 Q9UPY5 1/20 0.48
GRIK1 P39086 5/20 0.46
GRIK2 Q13002 5/20 0.46
GGT1 P19440 2/20 0.46
GRM1 Q13255 1/20 0.46
GRM2 Q14416 1/20 0.46

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
SCHEMBL5596021 1.00 SLC1A1 (0.65) SLC1A1SLC7A5SLC1A3SLC1A2PTGS1
SCHEMBL600881 0.82 SLC7A5 (0.68) SLC1A1SLC7A5SLC1A3SLC1A2PTGS1
SCHEMBL9545322 0.82 SLC7A5 (0.68) SLC1A1SLC7A5SLC1A3SLC1A2PTGS1
SCHEMBL29024969 0.82 SLC7A5 (0.68) SLC1A1SLC7A5SLC1A3SLC1A2PTGS1
SCHEMBL17558883 0.81 SLC1A1 (0.62) SLC1A1SLC7A5SLC1A3SLC1A2PTGS1
Serine SCHEMBL1332181 0.79
(D)-Serine SCHEMBL6038168 0.79 SLC1A1 (0.59) SLC1A1SLC7A5SLC1A3SLC1A2PTGS1
Serine SCHEMBL6929773 0.79 SLC1A1 (0.59) SLC1A1SLC7A5SLC1A3SLC1A2PTGS1
(D)-Serine SCHEMBL43094 0.79
Serine SCHEMBL6520912 0.79 SLC1A1 (0.59) SLC1A1SLC7A5SLC1A3SLC1A2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007002594-A1 COSMETIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
US-20060293227-A1 Cosmetic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 US disclosed
US-20060293228-A1 Therapeutic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 US disclosed
US-6846806-B2 Peptide inhibitors of Hepatitis C virus NS3 protein BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-25 US disclosed
US-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 US disclosed
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2002-11-28 US disclosed
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-30 US disclosed
EP-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 EP disclosed
WO-1996012499-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-02 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 (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-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease TMPRSS15, CTRC, CPN1 SLC1A1 2630/4885SLC7A5 860/4885SLC1A3 2604/4885
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein VIP, PRSS1, SERPINB1 SLC1A1 3627/4885SLC7A5 3026/4885SLC1A3 3680/4885

“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.