SCHEMBL8772805

SCHEMBL8772805

Nc1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.47

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
P2RY12 known ✓ Q9H244 1/20 0.41
CA12 known ✓ O43570 4/20 0.41
CA1 known ✓ P00915 4/20 0.41
CA2 known ✓ P00918 4/20 0.41
CA4 known ✓ P22748 4/20 0.41
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
FTO Q9C0B1 1/20 0.44
DUSP5 Q16690 2/20 0.43
SLC7A11 Q9UPY5 1/20 0.43
CA6 P23280 4/20 0.41
CA5A P35218 4/20 0.41
CA7 P43166 4/20 0.41
CA9 Q16790 4/20 0.41
CA14 Q9ULX7 4/20 0.41
CA5B Q9Y2D0 4/20 0.41
PKM P14618 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 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
Potassium Ion SCHEMBL7064776 0.96 NR4A1 (0.42) LMNATDP1FTODUSP5SLC7A11
SCHEMBL142002 0.86 ALDH1A1 (0.53) LMNATDP1DUSP5P2RY12CA12
SCHEMBL29702707 0.86 ALDH1A1 (0.53) LMNATDP1DUSP5P2RY12CA12
SCHEMBL10487048 0.83 TSHR (0.44) LMNATDP1FTOP2RY12CA12
SCHEMBL29575161 0.83 TSHR (0.44) LMNATDP1FTOP2RY12CA12
SCHEMBL713915 0.83 LMNA (0.47) LMNATDP1FTODUSP5SLC7A11
SCHEMBL30461613 0.83 LMNA (0.47) LMNATDP1FTODUSP5SLC7A11
SCHEMBL30330767 0.82 ALDH1A1 (0.57) LMNATDP1FTODUSP5SLC7A11
SCHEMBL28657652 0.82 ALDH1A1 (0.57) LMNATDP1FTODUSP5SLC7A11
SCHEMBL9815491 0.82 G6PD (0.46) LMNATDP1FTOSLC7A11CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108698982-B Fluorine atom-containing compound and use thereof 日产化学工业株式会社 2021-07-16 CN disclosed
EP-3404017-B1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2020-05-13 EP disclosed
US-10590287-B2 Charge-transporting varnish and organic electroluminescent element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2020-03-17 US disclosed
EP-3309851-B1 CHARGE-TRANSPORTING VARNISH AND ORGANIC ELECTROLUMINESCENT ELEMENT NISSAN CHEMICAL CORP (JP) 2020-01-01 EP disclosed
CN-107710440-B Charge-transporting varnish and organic electroluminescent element 日产化学工业株式会社 2019-12-24 CN disclosed
US-10336686-B2 Fluorine atom-containing compound and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-07-02 US disclosed
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-31 US disclosed
US-10177315-B2 Arylsulfonic acid compound, use thereof, and method for producing arylsulfonic acid compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-08 US disclosed
EP-3404017-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF Nissan Chemical Industries, Ltd. (JP) 2018-11-21 EP disclosed
US-20180163061-A1 CHARGE-TRANSPORTING VARNISH AND ORGANIC ELECTROLUMINESCENT ELEMENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-06-14 US disclosed
EP-3309851-A1 CHARGE-TRANSPORTING VARNISH AND ORGANIC ELECTROLUMINESCENT ELEMENT Nissan Chemical Industries, Ltd. (JP) 2018-04-18 EP disclosed
EP-3121163-A1 OLIGOANILINE DERIVATIVE, CHARGE-TRANSPORTING VARNISH, AND ORGANIC ELECTROLUMINESCENT ELEMENT Nissan Chemical Industries, Ltd. (JP) 2017-01-25 EP disclosed
US-20160248018-A1 ARYLSULFONIC ACID COMPOUND, USE THEREOF, AND METHOD FOR PRODUCING ARYLSULFONIC ACID COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-25 US disclosed
EP-3056484-A1 ARYLSULFONIC ACID COMPOUND, USE THEREOF, AND METHOD FOR PRODUCING ARYLSULFONIC ACID COMPOUND Nissan Chemical Industries, Ltd. (JP) 2016-08-17 EP disclosed
EP-0628860-B1 New type of modified gelatin and its use in a DTR material AGFA GEVAERT NV (BE) 1997-10-15 EP disclosed
US-5536817-A DIFFUSION TRANSFER REVERSAL AGFA-GEVAERT, N.V. (BE) 1996-07-16 US disclosed
US-5474885-A Hydrophilic photographic diffusion transfer reversal material containing gelatin modified by sulfate, sulfonate, phosphate, or phosphonate groups, for lithographic printing plates AGFA-GEVAERT, N.V. (BE) 1995-12-12 US disclosed
EP-0628860-A1 New type of modified gelatin and its use in a DTR material AGFA-GEVAERT N.V. (BE) 1994-12-14 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 (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-10336686-B2 Fluorine atom-containing compound and use thereof ARF1, ARF5, ARFGAP1 P2RY12 3926/4885CA12 2173/4885CA1 1335/4885
US-10590287-B2 Charge-transporting varnish and organic electroluminescent element SLCO4C1, SLCO2A1, SLC26A3 P2RY12 3759/4885CA12 1311/4885CA1 1242/4885
US-20160248018-A1 ARYLSULFONIC ACID COMPOUND, USE THEREOF, AND METHOD FOR PRODUCING ARYLSULFONIC ACID COMPOUND ARSA, SULT2A1, SULT1A1 P2RY12 1793/4885CA12 3030/4885CA1 3566/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 P2RY12 3926/4885CA12 2173/4885CA1 1335/4885
US-20180163061-A1 CHARGE-TRANSPORTING VARNISH AND ORGANIC ELECTROLUMINESCENT ELEMENT SLCO4C1, SLCO2A1, SLC26A3 P2RY12 3759/4885CA12 1311/4885CA1 1242/4885
US-10177315-B2 Arylsulfonic acid compound, use thereof, and method for producing arylsulfonic acid compound ARSA, SULT2A1, SULT1A1 P2RY12 1793/4885CA12 3030/4885CA1 3566/4885

“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.