SCHEMBL548212

SCHEMBL548212

O=C([O-])c1cccc(C(=O)O)c1S(=O)(=O)O.[Na+]

nearest known ligand 0.49

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
CA2 known ✓ P00918 3/20 0.38
CA4 known ✓ P22748 2/20 0.38
CA1 known ✓ P00915 2/20 0.37
CA12 known ✓ O43570 1/20 0.36
ALOX15 P16050 2/20 0.49
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 4/20 0.42
CYP2D6 P10635 1/20 0.41
HSD17B10 Q99714 3/20 0.40
TSHR P16473 1/20 0.37
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
MMP2 P08253 2/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
L3MBTL1 Q9Y468 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
Potassium Ion SCHEMBL9845533 0.96 ALOX15 (0.49) ALOX15ALDH1A1KDM4EHPGDCYP2D6
Lithium Ion SCHEMBL7569829 0.96 ALOX15 (0.49) ALOX15ALDH1A1KDM4EHPGDCYP2D6
Terephthalic Acid SCHEMBL7867067 0.93 ALOX15 (0.44) ALOX15ALDH1A1KDM4EHPGDCYP2D6
SCHEMBL143946 0.92 ALDH1A1 (0.48) ALOX15ALDH1A1KDM4EHPGDCYP2D6
Terephthalic Acid SCHEMBL9559527 0.89 CA2 (0.43) ALOX15ALDH1A1KDM4EHPGDHSD17B10
Ethylene SCHEMBL4534559 0.89 ALDH1A1 (0.45) ALOX15ALDH1A1KDM4EHPGDCYP2D6
SCHEMBL1041780 0.88 ALDH1A1 (0.43) ALOX15ALDH1A1KDM4EHPGDCYP2D6
Potassium Ion SCHEMBL3781302 0.88 ALDH1A1 (0.43) ALOX15ALDH1A1KDM4EHPGDCYP2D6
SCHEMBL1400955 0.88 ALDH1A1 (0.43) ALOX15ALDH1A1KDM4EHPGDCYP2D6
SCHEMBL5964463 0.88 ALDH1A1 (0.43) ALOX15ALDH1A1KDM4EHPGDCYP2D6

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 258 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234341-A1 MULTI-LAYER RESEALABLE TAMPER-EVIDENT FILM FOR PACKAGING BOSTIK, INC. (US) 2023-07-27 US claimed
EP-3362485-B1 NOVEL CELLULOSE COMPOSITE MATERIALS AND METHODS OF MAKING AND USING THE SAME GP CELLULOSE GMBH (CH) 2022-03-02 EP claimed
JP-4361637-A None JP disclosed
EP-4733348-A1 POLYESTER FILM, POLYESTER FILM PRODUCTION METHOD, LAMINATED METAL PLATE, LAMINATED METAL PLATE PRODUCTION METHOD, AND LAMINATED METAL CONTAINER JFE Steel Corporation (JP) 2026-04-29 EP disclosed
US-20260109136-A1 LAMINATED METAL SHEET, METHOD OF PRODUCING LAMINATED METAL SHEET, AND LAMINATED METALLIC CONTAINER JFE STEEL CORPORATION (JP) 2026-04-23 US disclosed
US-20260109801-A1 MALEIMIDE RESIN MIXTURE, CURABLE RESIN COMPOSITION, VARNISH, AND CURED PRODUCT THEREOF NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2026-04-23 US disclosed
US-12584246-B2 Method for producing composite fiber and composite spinneret TORAY INDUSTRIES, INC. (JP) 2026-03-24 US disclosed
US-20260077571-A1 RESIN-COATED METAL SHEETS FOR CONTAINERS AND METHODS FOR MANUFACTURING THE SAME JFE STEEL CORPORATION (JP) 2026-03-19 US disclosed
US-20260048572-A1 RESIN-COATED METAL SHEET JFE STEEL CORPORATION (JP) 2026-02-19 US disclosed
EP-4696503-A1 RESIN-COATED METAL PLATE FOR CONTAINERS, METAL CONTAINER, AND METHOD FOR PRODUCING RESIN-COATED METAL PLATE FOR CONTAINERS JFE Steel Corporation (JP) 2026-02-18 EP disclosed
EP-4696504-A1 RESIN-COATED METAL PLATE FOR CONTAINER, METAL CONTAINER, AND METHOD FOR MANUFACTURING RESIN-COATED METAL PLATE FOR CONTAINER JFE Steel Corporation (JP) 2026-02-18 EP disclosed
EP-0376693-A2 Polyester film having a copolyester as subbing layer KANEBO LTD. (JP) 1990-07-04 EP disclosed
US-4844987-A MULTILAYER BOTTLE OF POLYETHYLENE TEREPHTHALATE AND A POLYAMIDE COMPRISING HEXAMETHYLENE ISOPHTHALAMIDE UNITS TEIJIN LIMITED (JP) 1989-07-04 US disclosed
EP-0225049-A2 Hollow-molded body obtained from polyamide molding material TEIJIN LIMITED (JP) 1987-06-10 EP disclosed
WO-1987002680-A2 POLYAMIDE PACKAGING MATERIAL TEIJIN LIMITED (JP) 1987-05-07 WO disclosed
US-4622381-A BLOCKING BY ALKALI SULFONATE COMPOUNDS TEIJIN LIMITED (JP) 1986-11-11 US disclosed
EP-0177014-A2 Modified polyester fiber and process for preparation thereof TEIJIN LIMITED (JP) 1986-04-09 EP disclosed
US-4136221-A SUEDE-LIKE RAISED WOVEN FABRIC AND PROCESS FOR THE PREPARATION THEREOF TORAY INDUSTRIES, INC. (JP) 1979-01-23 US disclosed
US-4103054-A WEAVING, HEAT TREATMENT TORAY INDUSTRIES, INC. (JP) 1978-07-25 US disclosed
US-3936389-A Bis glycol ester of sodium sulfo isophthalic acid from its dimethyl ester MONSANTO COMPANY (US) 1976-02-03 US 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 (5 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-20260048572-A1 RESIN-COATED METAL SHEET RPS27L, SRSF7, RPS27 CA2 4368/4885CA4 3577/4885CA1 3055/4885
US-20260077571-A1 RESIN-COATED METAL SHEETS FOR CONTAINERS AND METHODS FOR MANUFACTURING THE SAME CDH1, ITGA8, CD63 CA2 2090/4885CA4 2365/4885CA1 1161/4885
US-12584246-B2 Method for producing composite fiber and composite spinneret COG4, PSD, INF2 CA2 3784/4885CA4 1914/4885CA1 2270/4885
US-20260109801-A1 MALEIMIDE RESIN MIXTURE, CURABLE RESIN COMPOSITION, VARNISH, AND CURED PRODUCT THEREOF SMC4, MECP2, SMC3 CA2 816/4885CA4 594/4885CA1 569/4885
US-20260109136-A1 LAMINATED METAL SHEET, METHOD OF PRODUCING LAMINATED METAL SHEET, AND LAMINATED METALLIC CONTAINER CDH1, SPOUT1, CTNNA1 CA2 3957/4885CA4 4142/4885CA1 1730/4885

“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.