SCHEMBL564761

SCHEMBL564761

Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)O)cc(O)c12.[Na+]

nearest known ligand 0.81

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
▸ NT5E P21589 2/20 0.81
▸ PTPN1 P18031 3/20 0.67
▸ ALDH1A1 P00352 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ CASP6 P55212 3/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ DUSP5 Q16690 1/20 0.50
▸ CYP1A2 P05177 2/20 0.46
▸ NSD2 O96028 2/20 0.45
▸ DUSP3 P51452 1/20 0.45
▸ PTPN5 P54829 1/20 0.45
▸ PTPN11 Q06124 1/20 0.45
▸ APEX1 P27695 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ PLCG1 P19174 1/20 0.43
▸ DNMT1 P26358 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ ATM Q13315 1/20 0.42

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
SCHEMBL29379230 1.00 NT5E (0.81) NT5EPTPN1ALDH1A1HSD17B10CASP6
SCHEMBL31202727 1.00 NT5E (0.81) NT5EPTPN1ALDH1A1HSD17B10CASP6
SCHEMBL7598968 1.00 NT5E (0.81) NT5EPTPN1ALDH1A1HSD17B10CASP6
Water SCHEMBL30148471 0.98 NT5E (0.79) NT5EPTPN1ALDH1A1HSD17B10CASP6
SCHEMBL3100229 0.94 PTPN1 (0.76) NT5EPTPN1ALDH1A1HSD17B10CASP6
SCHEMBL29976911 0.94 PTPN1 (0.76) NT5EPTPN1ALDH1A1HSD17B10CASP6
SCHEMBL6840783 0.94 PTPN1 (0.76) NT5EPTPN1ALDH1A1HSD17B10CASP6
SCHEMBL22730239 0.92 PTPN1 (0.73) NT5EPTPN1ALDH1A1HSD17B10CASP6
Water SCHEMBL12275539 0.92 PTPN1 (0.73) NT5EPTPN1ALDH1A1HSD17B10CASP6
SCHEMBL6840785 0.90 NT5E (1.00) NT5EPTPN1ALDH1A1HSD17B10CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350196-B Process for producing H acid by alkali fusion in ammonia environment 山东创蓝垚石环保技术有限公司 2025-04-08 — — CN claimed
CN-117777753-A Active magenta dye, preparation method and application thereof 湖北丽源科技股份有限公司 2024-03-29 — — CN claimed
CN-117777756-A Purple sun-proof reactive dye and preparation method thereof 湖北丽源科技股份有限公司 2024-03-29 — — CN claimed
US-20200326280-A1 QUANTITATIVE DETECTION OF NON-FLUORINE ANTI-SOIL USING A FLUORESCENT TRACE INDICATOR TARKETT USA INC. (US) 2020-10-15 — — US claimed
US-10468701-B2 Multi-acid polymers from multifunctional amino acids and sulfonyl halide precursors and methods of making the same NISSAN NORTH AMERICA, INC. (US) 2019-11-05 — — US claimed
US-20170279145-A1 MULTI-ACID POLYMERS FROM MULTIFUNCTIONAL AMINO ACIDS AND SULFONYL HALIDE PRECURSORS AND METHODS OF MAKING THE SAME NISSAN MOTOR CO., LTD. (JP) 2017-09-28 — — US claimed
US-20050155866-A1 Plating bath and method for depositing a metal layer on a substrate SHIPLEY COMPANY, L.L.C. (US) 2005-07-21 — — US claimed
US-20030102226-A1 Plating bath and method for depositing a metal layer on a substrate SHIPLEY COMPANY, L.L.C. 2003-06-05 — — US claimed
EP-1300487-A1 Plating bath and method for depositing a metal layer on a substrate Shipley Co. L.L.C. (US) 2003-04-09 — — EP claimed
CN-119350196-B Process for producing H acid by alkali fusion in ammonia environment 山东创蓝垚石环保技术有限公司 2025-04-08 — — CN disclosed
CN-119350196-A Process for producing H acid by alkali fusion in ammonia environment 山东创蓝垚石环保技术有限公司 2025-01-24 — — CN disclosed
CN-118439978-B Process for producing H acid by recycling T acid mother liquor 山东创蓝垚石环保技术有限公司 2024-09-06 — — CN disclosed
CN-118439978-A Process for producing H acid by recycling T acid mother liquor 山东创蓝垚石环保技术有限公司 2024-08-06 — — CN disclosed
CN-117777756-A Purple sun-proof reactive dye and preparation method thereof 湖北丽源科技股份有限公司 2024-03-29 — — CN disclosed
US-4671937-A DIAZONIUM SALT AND SULFONIC ACID GROUP-CONTAINING POLYMER FUJI PHOTO FILM CO., LTD. (JP) 1987-06-09 — — US disclosed
US-4604347-A Analytical element for dry analysis FUJI PHOTO FILM CO., LTD. (JP) 1986-08-05 — — US disclosed
US-4548612-A Halo-triazine and vinylsulfone reactive dye composition with buffer for storage stability SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-10-22 — — US disclosed
EP-0134953-A2 Multilayer analytical element FUJI PHOTO FILM CO., LTD. (JP) 1985-03-27 — — EP disclosed
EP-0127456-A2 Reactive dye composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-12-05 — — EP disclosed
EP-0116361-A2 Analytical element for dry analysis FUJI PHOTO FILM CO., LTD. (JP) 1984-08-22 — — 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-20200326280-A1 QUANTITATIVE DETECTION OF NON-FLUORINE ANTI-SOIL USING A FLUORESCENT TRACE INDICATOR AFF2, AFF1, AFF4 NT5E 1129/4885PTPN1 1093/4885ALDH1A1 3483/4885

“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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