SCHEMBL5324730

SCHEMBL5324730

NC(Cc1ccc(O)c(Cc2ccccc2)c1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 8/20 1.00
ALOX15 P16050 3/20 0.65
HIF1A Q16665 3/20 0.65
HSD17B10 Q99714 3/20 0.65
USP2 O75604 3/20 0.65
PTGS1 P23219 2/20 0.65
KDM4E B2RXH2 2/20 0.65
RECQL P46063 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
EGFR P00533 1/20 0.65
LCK P06239 1/20 0.65
FYN P06241 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
HTR2A P28223 1/20 0.65
PTGS2 P35354 1/20 0.65
PKM P14618 2/20 0.60
ALPI P09923 1/20 0.60
XIAP P98170 1/20 0.60
GRIA2 P42262 1/20 0.54
MEN1 O00255 2/20 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
SCHEMBL2299795 1.00 SLC7A5 (1.00) SLC7A5ALOX15HIF1AHSD17B10USP2
SCHEMBL11077965 0.91 SLC7A5 (0.84) SLC7A5ALOX15HIF1AHSD17B10USP2
SCHEMBL9273339 0.85 SLC7A5 (0.73) SLC7A5ALOX15HIF1AHSD17B10USP2
SCHEMBL29585153 0.83 SLC7A5 (0.71) SLC7A5ALOX15HIF1AHSD17B10USP2
SCHEMBL20912657 0.83 SLC7A5 (0.71) SLC7A5ALOX15HIF1AHSD17B10USP2
SCHEMBL1248325 0.83 SLC7A5 (0.71) SLC7A5ALOX15HIF1AHSD17B10USP2
SCHEMBL5321753 0.83 SLC7A5 (0.71) SLC7A5ALOX15HIF1AHSD17B10USP2
Levodopa SCHEMBL896629 0.83 SLC7A5 (0.87) SLC7A5ALOX15HIF1AHSD17B10USP2
SCHEMBL20912658 0.83 SLC7A5 (0.71) SLC7A5ALOX15HIF1AHSD17B10USP2
SCHEMBL1249808 0.83 SLC7A5 (0.71) SLC7A5ALOX15HIF1AHSD17B10USP2

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 25 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
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
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
EP-0403600-A4 DEPROTECTION OF PROTECTED PEPTIDES 1991-03-13 EP disclosed
EP-0403600-A1 DEPROTECTION OF PROTECTED PEPTIDES THE ROCKEFELLER UNIVERSITY (US) 1990-12-27 EP disclosed
WO-1990002138-A1 DEPROTECTION OF PROTECTED PEPTIDES THE ROCKEFELLER UNIVERSITY (US) 1990-03-08 WO disclosed
US-4507230-A DETACHING RESINS FROM PEPTIDES RESEARCH CORPORATION (US) 1985-03-26 US 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 (1 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-20040147483-A1 Peptide inhibitors of hepatitis C virus NS3 protease VIP, PRSS1, CTSC SLC7A5 2870/4885ALOX15 2392/4885HIF1A 1558/4885

“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.