SCHEMBL4880533

SCHEMBL4880533

Cc1cc(O)cc(O)c1CC(N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.49
MAPT P10636 3/20 0.49
THRB P10828 2/20 0.49
ALOX15 P16050 2/20 0.49
HIF1A Q16665 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 2/20 0.49
RECQL P46063 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
RGS12 O14924 1/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
CASP1 P29466 1/20 0.49
BRCA1 P38398 1/20 0.49
THPO P40225 1/20 0.49

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
SCHEMBL45405 1.00 USP2 (0.49) USP2MAPTTHRBALOX15HIF1A
SCHEMBL10608422 0.91 SLC7A5 (0.50) USP2MAPTTHRBALOX15HIF1A
SCHEMBL296690 0.91 SLC7A5 (0.50) USP2MAPTTHRBALOX15HIF1A
SCHEMBL38374 0.91 SLC7A5 (0.50) USP2MAPTTHRBALOX15HIF1A
Bromide SCHEMBL10477399 0.90 SLC7A5 (0.49) USP2MAPTTHRBALOX15HIF1A
Bromide SCHEMBL10477401 0.90 SLC7A5 (0.49) USP2MAPTTHRBALOX15HIF1A
Hydrochloric Acid SCHEMBL10477430 0.90 SLC7A5 (0.49) USP2MAPTTHRBALOX15HIF1A
Hydrochloric Acid SCHEMBL10421601 0.90 SLC7A5 (0.49) USP2MAPTTHRBALOX15HIF1A
SCHEMBL13957561 0.84 USP2 (0.46) USP2MAPTTHRBALOX15HIF1A
SCHEMBL29141120 0.84 USP2 (0.46) USP2MAPTTHRBALOX15HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004021981-A2 METHODS FOR THE PREPARATION OF β-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2004-03-18 WO claimed
US-20030113882-A1 Methods for the preparation of beta-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-06-19 US claimed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
CN-104225574-B METHODS FOR PREVENTING MITOCHONDRIAL PERMEABILITY TRANSITION 科内尔研究基金会 2017-01-11 CN disclosed
CN-106163537-A Cuorin targeting peptides suppression amyloid beta oligomer toxicity 康奈尔大学 2016-11-23 CN disclosed
CN-106102760-A Aromatic-cationic peptides is for treating the purposes of the mitochondria dysfunction of cholesterol induction 康奈尔大学 2016-11-09 CN disclosed
CN-106039282-A AROMATIC-CATIONIC PEPTIDES AND USES OF SAME 康奈尔大学 2016-10-26 CN disclosed
CN-105879008-A METHODS FOR THE PREVENTION OR TREATMENT OF NO-REFLOW FOLLOWING ISCHEMIA/REPERFUSION INJURY 康德生物医疗技术公司 2016-08-24 CN disclosed
CN-105579054-A Methods of preventing or treating left ventricular remodeling STEALTH PEPTIDES INT INC 2016-05-11 CN disclosed
CN-105056206-A Methods and compositions for preventing or treating ophthalmic conditions STEALTH PEPTIDES INT INC 2015-11-18 CN disclosed
CN-105031605-A Methods for preventing or treating metabolic syndrome UNIV CORNELL 2015-11-11 CN disclosed
US-20030113882-A1 Methods for the preparation of beta-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-06-19 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-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-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 USP2 319/4885MAPT 4425/4885THRB 4356/4885
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein VIP, PRSS1, SERPINB1 USP2 867/4885MAPT 3585/4885THRB 4194/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 USP2 633/4885MAPT 3370/4885THRB 3337/4885

“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.