SCHEMBL5285668

SCHEMBL5285668

CCCCSCCCC(N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 10/20 0.56
BHMT2 Q9H2M3 1/20 0.53
DDAH1 O94760 3/20 0.50
NOS1 P29475 3/20 0.50
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
SLC1A3 P43003 1/20 0.50
NOS2 P35228 2/20 0.49
GRIK1 P39086 2/20 0.49
GRIK2 Q13002 2/20 0.49
NOS3 P29474 1/20 0.49
GSR P00390 1/20 0.48

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
SCHEMBL28251120 0.94 BHMT (0.59) BHMTBHMT2DDAH1NOS1SLC1A2
SCHEMBL28042282 0.93 BHMT (0.60) BHMTBHMT2DDAH1NOS1SLC1A2
SCHEMBL1285565 0.92 BHMT (0.66) BHMTBHMT2DDAH1NOS1SLC1A2
SCHEMBL60520 0.92 BHMT (0.66) BHMTBHMT2DDAH1NOS1SLC1A2
SCHEMBL4955426 0.92 BHMT (0.66) BHMTBHMT2DDAH1NOS1SLC1A2
SCHEMBL1158177 0.92 BHMT (0.56) BHMTBHMT2DDAH1NOS1SLC1A2
SCHEMBL2454580 0.87 BHMT (0.59) BHMTBHMT2DDAH1NOS1SLC1A2
SCHEMBL18832133 0.87 BHMT (0.69) BHMTBHMT2DDAH1NOS1SLC1A2
SCHEMBL2459860 0.86 BHMT (0.53) BHMTBHMT2DDAH1NOS1NOS2
SCHEMBL17956289 0.86 BHMT (0.58) BHMTBHMT2DDAH1NOS1SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
CN-105130871-B A kind of sulfur derivatives and its preparation method and application of pyrrolin ketone 南京农业大学 2018-11-09 CN disclosed
CN-105130871-A Pyrrolidone sulfur derivatives and their preparation method and application UNIV NANJING AGRICULTURAL 2015-12-09 CN disclosed
WO-2007002594-A1 COSMETIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
WO-2007002469-A2 THERAPEUTIC 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-6939854-B2 Peptide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-09-06 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
EP-1252178-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-10-30 EP disclosed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 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-2001064678-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-07 WO disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO 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 BHMT 2833/4885BHMT2 3657/4885DDAH1 244/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 BHMT 2227/4885BHMT2 3149/4885DDAH1 185/4885

“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.