SCHEMBL843598

SCHEMBL843598

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

nearest known ligand 0.44

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
CA1 known ✓ P00915 4/20 0.35
CA4 known ✓ P22748 4/20 0.32
CA2 known ✓ P00918 1/20 0.30
LMNA P02545 2/20 0.43
CA5A P35218 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
FAHD1 Q6P587 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
Disodium Methoxy(Oxido)Phosphinecarboxylate Oxide SCHEMBL843597 0.72 LMNA (0.50) LMNACA1CA4CA5ACA5B
SCHEMBL11476932 0.71
SCHEMBL11681823 0.71
Phosphoric Acid Monomethyl Ester SCHEMBL11433168 0.69
SCHEMBL11597418 0.69
SCHEMBL11911191 0.69 MMP2 (0.35) CA1CA2
SCHEMBL11742833 0.69
SCHEMBL4452182 0.69 ALDH1A1 (0.35) CA2
SCHEMBL28997568 0.69
SCHEMBL10887089 0.69 CA2 (0.32) LMNACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738068-B2 Organic/inorganic hybrid nanoparticulates made from iron carboxylates Centre National de la Recherche Scientifique—CNRS (FR) 2020-08-11 US disclosed
US-20180346500-A1 ORGANIC/INORGANIC HYBRID NANOPARTICULATES MADE FROM IRON CARBOXYLATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-12-06 US disclosed
US-10065979-B2 Organic/inorganic hybrid nanoparticulates made from iron carboxylates CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2018-09-04 US disclosed
EP-2193136-B1 SOLID INORGANIC/ORGANIC HYBRID WITH MODIFIED SURFACE CENTRE NAT RECH SCIENT (FR) 2014-07-30 EP disclosed
EP-2193137-B1 ORGANIC/INORGANIC HYBRID NANOPARTICULATES MADE FROM IRON CARBOXYLATES CENTRE NAT RECH SCIENT (FR) 2013-07-10 EP disclosed
EP-2260048-B1 POROUS CRYSTALLINE HYBRID SOLID FOR ADSORBING AND RELEASING GAS OF BIOLOGICAL INTEREST CENTRE NAT RECH SCIENT (FR) 2012-03-28 EP disclosed
US-20110052650-A1 POROUS CRYSTALLINE HYBRID SOLID FOR ADSORBING AND RELEASING GAS OF BIOLOGICAL INTEREST Centre National De La Recherche Scientifique - CNR S (FR) 2011-03-03 US disclosed
EP-2260048-A1 POROUS CRYSTALLINE HYBRID SOLID FOR ADSORBING AND RELEASING GAS OF BIOLOGICAL INTEREST Centre National de la Recherche Scientifique - CNRS (FR) 2010-12-15 EP disclosed
US-20100226991-A1 SOLID INORGANIC/ORGANIC HYBRID WITH MODIFIED SURFACE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS- (FR) 2010-09-09 US disclosed
US-20100209354-A1 ORGANIC/INORGANIC HYBRID NANOPARTICULATES MADE FROM IRON CARBOXYLATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2010-08-19 US disclosed
EP-2193136-A1 SOLID INORGANIC/ORGANIC HYBRID WITH MODIFIED SURFACE Centre National De La Recherche Scientifique-CNRS (FR) 2010-06-09 EP disclosed
EP-2193137-A1 ORGANIC/INORGANIC HYBRID NANOPARTICULATES MADE FROM IRON CARBOXYLATES Centre National De La Recherche Scientifique-CNRS (FR) 2010-06-09 EP disclosed
WO-2009133278-A1 POROUS CRYSTALLINE HYBRID SOLID FOR ADSORBING AND RELEASING GAS OF BIOLOGICAL INTEREST CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2009-11-05 WO disclosed
WO-2009077671-A1 SOLID INORGANIC/ORGANIC HYBRID WITH MODIFIED SURFACE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2009-06-25 WO disclosed
WO-2009077670-A1 ORGANIC/INORGANIC HYBRID NANOPARTICULATES MADE FROM IRON CARBOXYLATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2009-06-25 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-20110052650-A1 POROUS CRYSTALLINE HYBRID SOLID FOR ADSORBING AND RELEASING GAS OF BIOLOGICAL INTEREST MITF, SLCO2B1, SLCO2A1 CA1 90/4885CA4 6/4885CA2 26/4885
US-20100226991-A1 SOLID INORGANIC/ORGANIC HYBRID WITH MODIFIED SURFACE SLCO2A1, SLCO4C1, SLCO2B1 CA1 898/4885CA4 79/4885CA2 165/4885
US-10065979-B2 Organic/inorganic hybrid nanoparticulates made from iron carboxylates SLC39A3, SLC40A1, AOC3 CA1 657/4885CA4 172/4885CA2 179/4885
US-20180346500-A1 ORGANIC/INORGANIC HYBRID NANOPARTICULATES MADE FROM IRON CARBOXYLATES SLC39A3, SLC40A1, AOC3 CA1 644/4885CA4 166/4885CA2 179/4885
US-10738068-B2 Organic/inorganic hybrid nanoparticulates made from iron carboxylates SLC40A1, FECH, FTH1 CA1 441/4885CA4 114/4885CA2 86/4885
US-20100209354-A1 ORGANIC/INORGANIC HYBRID NANOPARTICULATES MADE FROM IRON CARBOXYLATES SLC39A3, SLC40A1, AOC3 CA1 657/4885CA4 172/4885CA2 179/4885

“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.