SCHEMBL5293594

SCHEMBL5293594

Nc1ccc(CC(N)C(=O)O)cc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.64
▸ CDC25B P30305 1/20 0.64
▸ CASP6 P55212 1/20 0.64
▸ RCE1 Q9Y256 1/20 0.64
▸ SLC7A5 Q01650 4/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ PTGS1 P23219 2/20 0.58
▸ USP2 O75604 2/20 0.58
▸ RECQL P46063 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ EGFR P00533 1/20 0.58
▸ LCK P06239 1/20 0.58
▸ FYN P06241 1/20 0.58
▸ ADORA3 P0DMS8 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ HTR2A P28223 1/20 0.58
▸ PTGS2 P35354 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ PKM P14618 3/20 0.53

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
SCHEMBL29151797 0.86 SLC7A5 (0.62) SLC7A5KDM4EPTGS1USP2RECQL
SCHEMBL30705336 0.86 SLC7A5 (0.62) SLC7A5KDM4EPTGS1USP2RECQL
SCHEMBL30705337 0.84 SLC7A5 (0.64) SLC7A5KDM4EPTGS1USP2RECQL
SCHEMBL16070908 0.84 SLC7A5 (0.64) SLC7A5KDM4EPTGS1USP2RECQL
SCHEMBL3730019 0.84 SLC7A5 (0.64) SLC7A5KDM4EPTGS1USP2RECQL
SCHEMBL180153 0.83 SLC7A5 (0.73) ALDH1A1SLC7A5KDM4EPTGS1USP2
SCHEMBL30863849 0.83 SLC7A5 (0.73) ALDH1A1SLC7A5KDM4EPTGS1USP2
SCHEMBL28840880 0.83 SLC7A5 (0.73) ALDH1A1SLC7A5KDM4EPTGS1USP2
SCHEMBL30863848 0.83 SLC7A5 (0.73) ALDH1A1SLC7A5KDM4EPTGS1USP2
SCHEMBL180154 0.83 SLC7A5 (0.73) ALDH1A1SLC7A5KDM4EPTGS1USP2

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 22 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-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-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
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-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 (3 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 ALDH1A1 1353/4885CDC25B 3614/4885CASP6 1145/4885
US-20040147483-A1 Peptide inhibitors of hepatitis C virus NS3 protease VIP, PRSS1, CTSC ALDH1A1 1883/4885CDC25B 1398/4885CASP6 900/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 ALDH1A1 697/4885CDC25B 3561/4885CASP6 2504/4885

“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.

Send feedback