SCHEMBL19043006

SCHEMBL19043006

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

nearest known ligand 0.51

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
▸ THRB known ✓ P10828 1/20 0.35
▸ PTPN1 P18031 3/20 0.51
▸ NT5E P21589 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ CASP6 P55212 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SUMO2 P61956 1/20 0.44
▸ SUMO1 P63165 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP2 Q9HC62 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ DUSP5 Q16690 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ APEX1 P27695 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40

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
SCHEMBL31274741 0.90 NT5E (0.57) PTPN1NT5EALDH1A1HSD17B10CASP6
SCHEMBL591402 0.90 NT5E (0.57) PTPN1NT5EALDH1A1HSD17B10CASP6
Water SCHEMBL29461458 0.89 NT5E (0.55) PTPN1NT5EALDH1A1HSD17B10CASP6
Water SCHEMBL29259108 0.89 NT5E (0.55) PTPN1NT5EALDH1A1HSD17B10CASP6
SCHEMBL2730685 0.88 PTPN1 (0.52) PTPN1NT5EALDH1A1HSD17B10CASP6
SCHEMBL152377 0.86 NT5E (0.68) NT5EALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL11426413 0.86 NT5E (0.68) NT5EALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL31229304 0.86 NT5E (0.68) NT5EALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL2730688 0.86 NT5E (0.68) NT5EALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL30566330 0.86 NT5E (0.68) NT5EALDH1A1HSD17B10CASP6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 disclosed
US-20170279144-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 disclosed
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 disclosed
US-20170274369-A1 Multi-Acid Polymers and Methods of Making the Same NISSAN MOTOR CO., LTD. (JP) 2017-09-28 — — US disclosed
US-20170274368-A1 MULTI-ACID POLYMERS AND METHODS OF MAKING THE SAME NISSAN MOTOR CO., LTD. (JP) 2017-09-28 — — US disclosed
US-9694357-B1 Multi-acid polymers and methods of making the same NISSAN NORTH AMERICA, INC. (US) 2017-07-04 — — 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 (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-20170274368-A1 MULTI-ACID POLYMERS AND METHODS OF MAKING THE SAME FRS2, FXR2, PFAS THRB 2629/4885PTPN1 347/4885NT5E 4795/4885
US-20170274369-A1 Multi-Acid Polymers and Methods of Making the Same FRS2, PFAS, SOS2 THRB 2919/4885PTPN1 687/4885NT5E 4795/4885

“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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