SCHEMBL2658044

SCHEMBL2658044

NCC(C(=O)c1ccc(CC(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)c2ccc(C3CCCCC3)cc2)cc1)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.52

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 20)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.33
CA2 known ✓ P00918 1/20 0.33
ADCY6 O43306 4/20 0.52
ADCY3 O60266 4/20 0.52
ADCY9 O60503 4/20 0.52
ADCY5 O95622 4/20 0.52
ADCY8 P40145 4/20 0.52
GCGR P47871 4/20 0.52
ADCY7 P51828 4/20 0.52
ADCY2 Q08462 4/20 0.52
ADCY1 Q08828 4/20 0.52
ADCY4 Q8NFM4 4/20 0.52
MMP13 P45452 4/20 0.40
P2RY14 Q15391 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NFKB1 P19838 1/20 0.37
NPY1R P25929 1/20 0.37

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
SCHEMBL11969918 0.88 ADCY6 (0.52) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL15676472 0.85 GCGR (0.62) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL2661583 0.85 GCGR (0.60) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL2658046 0.83 ADCY6 (0.50) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL12001852 0.82 GCGR (0.63) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL2658077 0.82 ADCY6 (0.54) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL2658073 0.82 ADCY6 (0.54) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL9072914 0.79 GCGR (0.63) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL15676474 0.78 GCGR (0.61) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL11999181 0.78 GCGR (0.65) ADCY6ADCY3ADCY9ADCY5ADCY8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807946-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2020-10-20 US disclosed
US-20190218176-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2019-07-18 US disclosed
US-10239829-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2019-03-26 US disclosed
EP-2786985-B1 Antagonists of the glucagon receptor METABASIS THERAPEUTICS INC (US) 2018-11-28 EP disclosed
US-20170275246-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. 2017-09-28 US disclosed
US-9701626-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2017-07-11 US disclosed
US-20160009639-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS INC (US) 2016-01-14 US disclosed
EP-2786985-A2 Antagonists of the glucagon receptor Metabasis Therapeutics, Inc. (US) 2014-10-08 EP disclosed
EP-2129654-B1 ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS INC (US) 2014-05-28 EP disclosed
US-8710236-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2014-04-29 US disclosed
US-20120214769-A1 Novel Antagonists of the Glucagon Receptor METABASIS THERAPEUTICS, INC. (US) 2012-08-23 US disclosed
EP-2129654-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR Metabasis Therapeutics, Inc. (US) 2009-12-09 EP disclosed
WO-2008098244-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. (US) 2008-08-14 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 (6 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-20160009639-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 CA1 2479/4885CA2 541/4885ADCY6 576/4885
US-20190218176-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 CA1 2436/4885CA2 514/4885ADCY6 563/4885
US-10239829-B2 Antagonists of the glucagon receptor GLP1R, GCGR, GPR119 CA1 2324/4885CA2 416/4885ADCY6 723/4885
US-20120214769-A1 Novel Antagonists of the Glucagon Receptor GLP1R, GCGR, GPR119 CA1 2479/4885CA2 541/4885ADCY6 576/4885
US-20170275246-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 CA1 2479/4885CA2 541/4885ADCY6 576/4885
US-10807946-B2 Antagonists of the glucagon receptor GLP1R, GCGR, GPR119 CA1 2285/4885CA2 426/4885ADCY6 703/4885

“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.