SCHEMBL4759568

SCHEMBL4759568

O=C([O-])c1cc(C(=O)OCC(O)O)cc(S(=O)(=O)O)c1.[Na+]

nearest known ligand 0.41

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 9)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.30
CA2 known ✓ P00918 1/20 0.30
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
SERPINE1 P05121 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PTPN1 P18031 2/20 0.31
PTPN2 P17706 1/20 0.31
PTPN11 Q06124 1/20 0.31

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
SCHEMBL7459486 0.91 LCK (0.48) LCKFYNSERPINE1ALDH1A1PTPN1
SCHEMBL2952944 0.90 LCK (0.47) LCKFYNSERPINE1ALDH1A1PTPN1
SCHEMBL6274784 0.85 LCK (0.61) LCKFYNSERPINE1ALDH1A1PTPN1
SCHEMBL17780858 0.84 LCK (0.59) LCKFYNSERPINE1ALDH1A1PTPN1
SCHEMBL258409 0.79 LCK (0.61) LCKFYNALDH1A1CA1CA2
SCHEMBL13520460 0.79 LCK (0.46) LCKFYNSERPINE1ALDH1A1CA1
Potassium Ion SCHEMBL28394777 0.78 LCK (0.59) LCKFYNALDH1A1CA1CA2
Lithium Ion SCHEMBL28391984 0.78 LCK (0.59) LCKFYNALDH1A1CA1CA2
SCHEMBL1331221 0.77 LCK (0.47) LCKFYNALDH1A1CA1CA2
SCHEMBL28370074 0.77 SERPINE1 (0.43) LCKFYNSERPINE1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-220503410-U Pile fabric 株式会社钟化 2024-02-20 CN disclosed
US-11314179-B2 Polyester resin, method for producing polyester resin, and toner using said polyester resin MITSUBISHI CHEMICAL CORPORATION (JP) 2022-04-26 US disclosed
EP-3296341-B1 POLYESTER RESIN, METHOD FOR PRODUCING POLYESTER RESIN, AND TONER USING SAID POLYESTER RESIN MITSUBISHI CHEM CORP (JP) 2019-11-06 EP disclosed
EP-3296341-A1 POLYESTER RESIN, METHOD FOR PRODUCING POLYESTER RESIN, TONER USING SAID POLYESTER RESIN Mitsubishi Chemical Corporation (JP) 2018-03-21 EP disclosed
US-20180067412-A1 POLYESTER RESIN, METHOD FOR PRODUCING POLYESTER RESIN, AND TONER USING SAID POLYESTER RESIN MITSUBISHI CHEMICAL CORPORATION (JP) 2018-03-08 US disclosed
JP-2008115244-A METHOD FOR PRODUCING COPOLYESTER TOYOBO CO LTD 2008-05-22 JP 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-11314179-B2 Polyester resin, method for producing polyester resin, and toner using said polyester resin GRHPR, GLRA1, TECR CA1 1859/4885CA2 2001/4885LCK 3411/4885
US-20180067412-A1 POLYESTER RESIN, METHOD FOR PRODUCING POLYESTER RESIN, AND TONER USING SAID POLYESTER RESIN HNRNPR, TECR, PUF60 CA1 3818/4885CA2 4049/4885LCK 3294/4885

“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.