SCHEMBL19615558

SCHEMBL19615558

O=C([O-])C(O)(O)CCO.[Na+]

nearest known ligand 0.40

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 7)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 3/20 0.40
FAHD1 Q6P587 1/20 0.37
CASP1 P29466 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL323856 0.71
SCHEMBL5502578 0.70 CA1 (0.44)
SCHEMBL9837461 0.70 CA4 (0.33) CA4
SCHEMBL4539892 0.69 ABCC4 (0.39) CA4MAPT
SCHEMBL7603816 0.69 CA4 (0.62) CA4FAHD1CASP1
SCHEMBL5354734 0.69
SCHEMBL6356167 0.69 KDM4E (0.31) CA4KDM4EMAPTALOX15SMN1; SMN2
Oxalic Acid SCHEMBL28524605 0.68 CA4 (0.67) CA4FAHD1CASP1KDM4EMAPT
Oxalic Acid SCHEMBL18124390 0.68 CA4 (0.54) CA4FAHD1CASP1KDM4EMAPT
SCHEMBL6231547 0.67 FDPS (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458584-B1 FUSION PROTEINS COMPRISING AN ALDOLASE ENZYME JOINED TO A MALTOSE BINDING PROTEIN CONSEJO SUPERIOR INVESTIGACION (ES) 2021-07-07 EP disclosed
US-10683493-B2 Fusion proteins comprising an aldolase enzyme joined to a maltose binding protein CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2020-06-16 US disclosed
US-20190194638-A1 FUSION PROTEINS COMPRISING AN ALDOLASE ENZYME JOINED TO A MALTOSE BINDING PROTEIN TECHNICAL UNIVERSITY OF DARMSTADT (DE) 2019-06-27 US disclosed
EP-3458584-A1 FUSION PROTEINS COMPRISING AN ALDOLASE ENZYME JOINED TO A MALTOSE BINDING PROTEIN Consejo Superior De Investigaciones Científicas (ES) 2019-03-27 EP disclosed
WO-2017198717-A1 FUSION PROTEINS COMPRISING AN ALDOLASE ENZYME JOINED TO A MALTOSE BINDING PROTEIN CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2017-11-23 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-20190194638-A1 FUSION PROTEINS COMPRISING AN ALDOLASE ENZYME JOINED TO A MALTOSE BINDING PROTEIN ALDOA, TALDO1, DERA CA4 985/4885FAHD1 325/4885CASP1 4534/4885
US-10683493-B2 Fusion proteins comprising an aldolase enzyme joined to a maltose binding protein ALDOA, TALDO1, DERA CA4 985/4885FAHD1 325/4885CASP1 4534/4885

“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.