SCHEMBL5287440

SCHEMBL5287440

NC(CCc1ccccc1)C(N)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.55
SLC1A2 P43004 3/20 0.55
SLC1A1 P43005 3/20 0.55
METAP2 P50579 2/20 0.54
METAP1 P53582 2/20 0.54
ERAP1 Q9NZ08 4/20 0.53
ANPEP P15144 3/20 0.53
ERAP2 Q6P179 3/20 0.53
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
GRIK1 P39086 1/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50

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
SCHEMBL29257634 0.89 GRIK1 (0.59) SLC1A3SLC1A2SLC1A1ERAP1ANPEP
SCHEMBL1884112 0.83 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1METAP2METAP1
SCHEMBL5848452 0.83 METAP2 (0.65) METAP2METAP1ERAP1ANPEPERAP2
SCHEMBL27764373 0.83 SLC1A1 (0.68) SLC1A3SLC1A2SLC1A1ERAP1ANPEP
SCHEMBL3449692 0.83 SLC1A1 (0.68) SLC1A3SLC1A2SLC1A1ERAP1ANPEP
SCHEMBL5848773 0.83 METAP2 (0.65) METAP2METAP1ERAP1ANPEPERAP2
SCHEMBL1880545 0.83 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1METAP2METAP1
SCHEMBL3841264 0.83 METAP2 (0.65) METAP2METAP1ERAP1ANPEPERAP2
SCHEMBL21458090 0.83 METAP2 (0.65) METAP2METAP1ERAP1ANPEPERAP2
SCHEMBL10654495 0.83 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1METAP2METAP1

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 18 patents. 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
WO-2007002469-A2 THERAPEUTIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
WO-2007002594-A1 COSMETIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
US-20060293228-A1 Therapeutic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 US disclosed
US-20060293227-A1 Cosmetic 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
US-20040147483-A1 Peptide inhibitors of hepatitis C virus NS3 protease PRIESTLEY E SCOTT (DE) 2004-07-29 US disclosed
US-6699855-B2 PYRROLOPYRAZINONES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2004-03-02 US disclosed
EP-1261611-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-12-04 EP 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-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
WO-2001064678-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-07 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 (4 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 SLC1A3 2604/4885SLC1A2 3427/4885SLC1A1 2630/4885
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein VIP, PRSS1, SERPINB1 SLC1A3 3680/4885SLC1A2 4572/4885SLC1A1 3627/4885
US-20040147483-A1 Peptide inhibitors of hepatitis C virus NS3 protease VIP, PRSS1, CTSC SLC1A3 3645/4885SLC1A2 4593/4885SLC1A1 3577/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 SLC1A3 3020/4885SLC1A2 4117/4885SLC1A1 3301/4885

“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.