SCHEMBL18279853

SCHEMBL18279853

C=Cc1cccc(S(=O)(=O)[O-])c1C=C.[Na+]

nearest known ligand 0.36

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 16)

geneUniProtsupporting neighboursconfidence
▸ DUSP5 Q16690 1/20 0.36
▸ RAD51 Q06609 5/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ STS P08842 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ LTA P01374 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PKLR P30613 1/20 0.32
▸ PTPN1 P18031 1/20 0.31
▸ SLC9A1 P19634 1/20 0.30

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
Styrene SCHEMBL29224744 0.90 ALDH1A1 (0.44) DUSP5RAD51ALDH1A1STSTDP1
SCHEMBL29369229 0.84 ALDH1A1 (0.40) DUSP5RAD51ALDH1A1STSTDP1
SCHEMBL139337 0.84 ALDH1A1 (0.40) DUSP5RAD51ALDH1A1STSTDP1
SCHEMBL18492567 0.83 DUSP5 (0.35) DUSP5RAD51ALDH1A1STSTDP1
Water SCHEMBL29030449 0.82 ALDH1A1 (0.39) DUSP5RAD51ALDH1A1STSTDP1
Water SCHEMBL8393463 0.82 ALDH1A1 (0.39) DUSP5RAD51ALDH1A1STSTDP1
SCHEMBL7159106 0.82 ALDH1A1 (0.39) DUSP5RAD51ALDH1A1STSTDP1
Tetrabuthylammonium SCHEMBL29548069 0.82 KCNH2 (0.36) ALDH1A1TDP1CYP3A4
SCHEMBL12545022 0.81 SLC9A1 (0.32) DUSP5RAD51SLC9A1
SCHEMBL3002304 0.80 ALDH1A1 (0.40) DUSP5RAD51ALDH1A1STSTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112533997-B Hydrogels and uses thereof 积水化成品工业株式会社 2023-09-26 — — CN claimed
CN-110809598-B Hydrogel, use thereof, and method for producing same 积水化成品工业株式会社 2022-07-12 — — CN claimed
CN-112852532-B High-temperature-resistant nano composite lubricant and preparation method and application of emulsion thereof 中国石油大学(北京) 2022-04-19 — — CN claimed
CN-112852532-A High-temperature-resistant nano composite lubricant and preparation method and application of emulsion thereof 中国石油大学(北京) 2021-05-28 — — CN claimed
CN-110809598-A Hydrogel, use thereof, and method for producing same 积水化成品工业株式会社 2020-02-18 — — CN claimed
US-12630502-B2 Compounds, compositions and polymer films FUJIFILM MANUFACTURING EUROPE B.V. (NL) 2026-05-19 — — US disclosed
EP-3845606-B1 HYDROGEL AND USES THEREFOR SEKISUI KASEI CO LTD (JP) 2026-02-18 — — EP disclosed
US-12515175-B2 Composite membrane FUJIFILM MANUFACTURING EUROPE B.V. (NL) 2026-01-06 — — US disclosed
EP-4499737-B1 MEMBRANES FUJIFILM MFG EUROPE BV (NL) 2025-12-10 — — EP disclosed
CN-120518807-B Polystyrene-sodium divinylbenzene sulfonate foam material and preparation method and application thereof 浙江奕湃科技有限公司 2025-10-28 — — CN disclosed
CN-120518807-B Polystyrene-sodium divinylbenzene sulfonate foam material and preparation method and application thereof 浙江奕湃科技有限公司 2025-10-28 — — CN disclosed
US-12415895-B2 Hydrogel and uses therefor SEKISUI KASEI CO., LTD. (JP) 2025-09-16 — — US disclosed
CN-112533997-A Hydrogels and uses thereof 积水化成品工业株式会社 2021-03-19 — — CN disclosed
US-20200407515-A1 GEL HAVING INTERPENETRATING NETWORK SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-12-31 — — US disclosed
CN-110997631-A High purity amphiphilic arylsulfonic acid amine salt vinyl monomers and (co) polymers thereof 东曹精细化工株式会社 2020-04-10 — — CN disclosed
WO-2020044246-A1 HYDROGEL AND USES THEREFOR 積水化成品工業株式会社 2020-03-05 — — WO disclosed
CN-110809598-A Hydrogel, use thereof, and method for producing same 积水化成品工业株式会社 2020-02-18 — — CN disclosed
EP-3604452-A1 GEL HAVING MUTUALLY INTRUSIVE NETWORK STRUCTURES Sumitomo Chemical Company, Limited (JP) 2020-02-05 — — EP disclosed
US-9795955-B2 Curable composition and cured polymer product FUJIFILM CORPORATION (JP) 2017-10-24 — — US disclosed
US-20160354771-A1 CURABLE COMPOSITION AND CURED POLYMER PRODUCT FUJIFILM CORPORATION (JP) 2016-12-08 — — 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 (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-12630502-B2 Compounds, compositions and polymer films PHOSPHO1, SGMS1, MGMT DUSP5 4668/4885RAD51 84/4885ALDH1A1 1925/4885

“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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