SCHEMBL7501651

SCHEMBL7501651

O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccccn4)sc4ccccc34)cc2)cc1.[Na+]

nearest known ligand 0.88

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG known ✓ P37231 1/20 0.45
PTPN1 P18031 19/20 0.88
PPARA Q07869 1/20 0.45

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
SCHEMBL7504038 0.94 PTPN1 (1.00) PTPN1PPARGPPARA
SCHEMBL7501662 0.93 PTPN1 (0.98) PTPN1PPARGPPARA
SCHEMBL7501646 0.93 PTPN1 (0.98) PTPN1PPARGPPARA
SCHEMBL7498107 0.82 PTPN1 (1.00) PTPN1PPARGPPARA
SCHEMBL7501919 0.80 PTPN1 (1.00) PTPN1PPARGPPARA
SCHEMBL7498101 0.76 PTPN1 (0.82) PTPN1PPARGPPARA
SCHEMBL7500936 0.74 PTPN1 (1.00) PTPN1PPARGPPARA
SCHEMBL7496678 0.74 PTPN1 (1.00) PTPN1PPARGPPARA
SCHEMBL7499583 0.73 PTPN1 (1.00) PTPN1PPARGPPARA
SCHEMBL7500564 0.71 PTPN1 (1.00) PTPN1PPARGPPARA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077967-B1 BIPHENYL OXO-ACETIC ACIDS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA WYETH CORP (US) 2002-12-04 EP claimed
US-20010053785-A1 Biphenyl oxo-acetic acids useful in the treatment of insulin resistance and hyperglycemia WYETH 2001-12-20 US claimed
US-20010041715-A1 Biphenyl oxo-acetic acids useful in the treatment of insulin resistance and hyperglycemia AMERICAN HOME PRODUCTS 2001-11-15 US claimed
US-6232322-B1 SUCH AS (4'-BENZOFURAN-3-YL-BIPHENYL-4-YLOXY)-ACETIC ACID OR SALT AMERICAN HOME PRODUCTS CORPORATION 2001-05-15 US claimed
EP-1077967-B1 BIPHENYL OXO-ACETIC ACIDS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA WYETH CORP (US) 2002-12-04 EP disclosed
US-6391897-B2 (4'-BENZOFURAN-3-YL-BIPHENYL-4-YLOXY)-ACETIC ACID, FOR EXAMPLE; INHIBIT PROTEIN-TYROSINE PHOSPHATASES (PTPASES) AMERICAN HOME PRODUCTS CORPORATION 2002-05-21 US disclosed
US-6369072-B2 Biphenyl oxo-acetic acids useful in the treatment of insulin resistance and hyperglycemia AMERICAN HOME PRODUCTS CORPORATION 2002-04-09 US disclosed
US-20010053785-A1 Biphenyl oxo-acetic acids useful in the treatment of insulin resistance and hyperglycemia WYETH 2001-12-20 US disclosed
US-20010041715-A1 Biphenyl oxo-acetic acids useful in the treatment of insulin resistance and hyperglycemia AMERICAN HOME PRODUCTS 2001-11-15 US disclosed
US-6232322-B1 SUCH AS (4'-BENZOFURAN-3-YL-BIPHENYL-4-YLOXY)-ACETIC ACID OR SALT AMERICAN HOME PRODUCTS CORPORATION 2001-05-15 US disclosed
EP-1077967-A2 BIPHENYL OXO-ACETIC ACIDS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-28 EP disclosed
WO-1999058518-A2 BIPHENYL OXO-ACETIC ACIDS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-18 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-20010053785-A1 Biphenyl oxo-acetic acids useful in the treatment of insulin resistance and hyperglycemia GPR119, INSR, IAPP PPARG 11/4885PTPN1 1004/4885PPARA 47/4885
US-20010041715-A1 Biphenyl oxo-acetic acids useful in the treatment of insulin resistance and hyperglycemia GPR119, INSR, IAPP PPARG 11/4885PTPN1 1004/4885PPARA 47/4885

“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.