SCHEMBL4367986

SCHEMBL4367986

O=C([O-])c1cc(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1.O=C([O-])c1cc(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1.[Na+].[Na+]

nearest known ligand 0.64

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 13)

geneUniProtsupporting neighboursconfidence
▸ SLC28A3 Q9HAS3 4/20 0.54
▸ TYR P14679 2/20 0.51
▸ POLB P06746 1/20 0.50
▸ PTPN1 P18031 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48

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
SCHEMBL5348342 1.00 SLC28A3 (0.54) SLC28A3TYRPOLBPTPN1CYP2C19
SCHEMBL5181635 0.96 SLC28A3 (0.54) SLC28A3TYRCYP2C19KDM4EALDH1A1
SCHEMBL722959 0.86 USP2 (0.57) SLC28A3TYRPOLBKDM4EALDH1A1
SCHEMBL5181436 0.86 USP2 (0.57) SLC28A3TYRPOLBKDM4EALDH1A1
SCHEMBL4375057 0.86 USP2 (0.57) SLC28A3TYRPOLBKDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL5180048 0.85 USP2 (0.56) SLC28A3TYRPOLBKDM4EALDH1A1
SCHEMBL4378546 0.83 SLC28A3 (0.56) SLC28A3TYRPOLB
SCHEMBL13576873 0.83 USP2 (0.60) SLC28A3TYRPTPN1CYP2C19KDM4E
SCHEMBL4375719 0.83 SLC28A3 (0.56) SLC28A3TYRPOLB
SCHEMBL5181812 0.83 USP2 (0.60) SLC28A3TYRPTPN1CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622563-B2 Process for producing glycoside MITSUI CHEMICALS, INC. (JP) 2009-11-24 — — US disclosed
US-20050272921-A1 Process for producing glycoside MITSUI CHEMICALS, INC. (JP) 2005-12-08 — — US disclosed
EP-1544207-A1 PROCESS FOR PRODUCING GLYCOSIDE Mitsui Chemicals, Inc. (JP) 2005-06-22 — — EP 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-20050272921-A1 Process for producing glycoside HAAO, OGA, MGAM SLC28A3 3687/4885TYR 68/4885POLB 2382/4885

“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.

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