SCHEMBL17044643

SCHEMBL17044643

O=S(=O)([O-])c1ccc(CCBr)cc1.[Na+]

nearest known ligand 0.44

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 11/20 0.41
CA1 known ✓ P00915 5/20 0.41
CA12 known ✓ O43570 5/20 0.41
CA4 known ✓ P22748 3/20 0.41
TDP1 Q9NUW8 2/20 0.44
CA9 Q16790 5/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
F2 P00734 2/20 0.39
TMPRSS4 Q9NRS4 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HTR6 P50406 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
SCHEMBL5368249 0.88 CA2 (0.43) TDP1CA2CA1CA12CA9
SCHEMBL8083823 0.82 HTR6 (0.53) TDP1CA2CA1CA12CA9
SCHEMBL2881343 0.82 TRPA1 (0.40) TDP1CA2CA1CA12CA9
SCHEMBL1919298 0.78 CA2 (0.67) CA2CA1CA12CA9CA4
SCHEMBL1738692 0.78 ENPP2 (0.46) TDP1CA2CA1CA12CA9
SCHEMBL7772184 0.78 F2 (0.64) TDP1CA2CA1CA12CA9
SCHEMBL314445 0.78 LMNA (0.48) TDP1CA2CA1CA12CA9
SCHEMBL313925 0.78 ALDH1A1 (0.44) TDP1CA2CA1CA12CA9
SCHEMBL30968190 0.78 LMNA (0.48) TDP1CA2CA1CA12CA9
SCHEMBL4101241 0.78 CA2 (0.67) TDP1CA2CA1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118289795-A Surface modified barite powder and preparation method and application thereof 旬阳市健平矿业有限公司 2024-07-05 CN claimed
CN-108483975-B High-performance asphalt warm-mixing agent 辽宁仁泰交通科技有限公司 2020-12-15 CN claimed
US-9505713-B2 High-purity sodium p-styrenesulfonate with excellent hue, method for producing the same, poly(sodium p-styrenesulfonate) with excellent hue using the same, and dispersant and synthetic starch for clothing finishing using the poly(sodium p-styrenesulfonate) TOSOH ORGANIC CHEMICAL CO., LTD (JP) 2016-11-29 US claimed
US-20150246876-A1 HIGH-PURITY SODIUM P-STYRENESULFONATE WITH EXCELLENT HUE, METHOD FOR PRODUCING THE SAME, POLY (SODIUM P-STYRENESULFONATE) WITH EXCELLENT HUE USING THE SAME, AND DISPERSANT AND SYNTHETIC STARCH FOR CLOTHING FINISHING USING THE POLY ( SODIUM P-STYRENESULFONATE) TOSOH ORGANIC CHEMICAL CO., LTD. (JP) 2015-09-03 US claimed
US-20250092171-A1 HIGH-PURITY 4-(2-BROMOETHYL)BENZENESULFONIC ACID, HIGH-PURITY STYRENESULFONIC ACID COMPOUND DERIVED THEREFROM, AND POLYMER THEREOF, AND METHODS FOR PRODUCING SAME TOSOH FINECHEM CORPORATION (JP) 2025-03-20 US disclosed
WO-2024203772-A1 METHOD FOR PRODUCING ALPHA-CYANOACRYLATE 東亞合成株式会社 2024-10-03 WO disclosed
CN-118289795-A Surface modified barite powder and preparation method and application thereof 旬阳市健平矿业有限公司 2024-07-05 CN disclosed
US-20240167922-A1 TRANSPARENTIZING REAGENT AND TRANSPARENTIZING METHOD KYOTO UNIVERSITY (JP) 2024-05-23 US disclosed
CN-117209760-B Sulfonated benzimidazole polymer and preparation method and application thereof 国家电投集团氢能科技发展有限公司 2024-03-12 CN disclosed
EP-4306927-A1 TRANSPARENTIZING REAGENT AND TRANSPARENTIZING METHOD Kyoto University (JP) 2024-01-17 EP disclosed
CN-117209760-A Sulfonated benzimidazole polymer and preparation method and application thereof 国家电投集团氢能科技发展有限公司 2023-12-12 CN disclosed
WO-2023171597-A1 HIGH-PURITY 4-(2-BROMOETHYL)BENZENESULFONIC ACID, HIGH-PURITY STYRENESULFONIC ACIDS DERIVED THEREFROM AND POLYMERS THEREOF, AND METHODS FOR PRODUCING SAME 東ソー・ファインケム株式会社 2023-09-14 WO disclosed
CN-108483975-B High-performance asphalt warm-mixing agent 辽宁仁泰交通科技有限公司 2020-12-15 CN disclosed
CN-111302979-A Single-component molecular glass and preparation method and application thereof 苏州瑞红电子化学品有限公司 2020-06-19 CN disclosed
US-9505713-B2 High-purity sodium p-styrenesulfonate with excellent hue, method for producing the same, poly(sodium p-styrenesulfonate) with excellent hue using the same, and dispersant and synthetic starch for clothing finishing using the poly(sodium p-styrenesulfonate) TOSOH ORGANIC CHEMICAL CO., LTD (JP) 2016-11-29 US disclosed
US-20150246876-A1 HIGH-PURITY SODIUM P-STYRENESULFONATE WITH EXCELLENT HUE, METHOD FOR PRODUCING THE SAME, POLY (SODIUM P-STYRENESULFONATE) WITH EXCELLENT HUE USING THE SAME, AND DISPERSANT AND SYNTHETIC STARCH FOR CLOTHING FINISHING USING THE POLY ( SODIUM P-STYRENESULFONATE) TOSOH ORGANIC CHEMICAL CO., LTD. (JP) 2015-09-03 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 (3 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-20240167922-A1 TRANSPARENTIZING REAGENT AND TRANSPARENTIZING METHOD TST, TTR, ALB CA2 2629/4885CA1 377/4885CA12 79/4885
US-20150246876-A1 HIGH-PURITY SODIUM P-STYRENESULFONATE WITH EXCELLENT HUE, METHOD FOR PRODUCING THE SAME, POLY (SODIUM P-STYRENESULFONATE) WITH EXCELLENT HUE USING THE SAME, AND DISPERSANT AND SYNTHETIC STARCH FOR CLOTHING FINISHING USING THE POLY ( SODIUM P-STYRENESULFONATE) HPSE, STS, TST CA2 3515/4885CA1 4090/4885CA12 3568/4885
US-20250092171-A1 HIGH-PURITY 4-(2-BROMOETHYL)BENZENESULFONIC ACID, HIGH-PURITY STYRENESULFONIC ACID COMPOUND DERIVED THEREFROM, AND POLYMER THEREOF, AND METHODS FOR PRODUCING SAME BRPF1, WEE2, WEE1 CA2 4639/4885CA1 4151/4885CA12 3652/4885

“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.