SCHEMBL313547

SCHEMBL313547

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

nearest known ligand 0.56

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 7/20 0.56
▸ CA1 known ✓ P00915 5/20 0.50
▸ CA12 known ✓ O43570 4/20 0.50
▸ PLCG1 P19174 1/20 0.54
▸ MMP2 P08253 4/20 0.50
▸ CA9 Q16790 4/20 0.50
▸ MMP1 P03956 1/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ MMP13 P45452 1/20 0.50
▸ F2 P00734 2/20 0.45
▸ PRSS1 P07477 2/20 0.45
▸ PRSS2 P07478 2/20 0.45
▸ PRSS3 P35030 2/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ CYP2A6 P11509 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CA14 Q9ULX7 2/20 0.43
▸ MAPK1 P28482 1/20 0.39

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
Water SCHEMBL30745859 0.97 CA2 (0.54) CA2PLCG1CA1MMP2CA12
Potassium Ion SCHEMBL8717887 0.94 CA2 (0.56) CA2PLCG1CA1MMP2CA12
SCHEMBL6908356 0.94 CA2 (0.56) CA2PLCG1CA1MMP2CA12
SCHEMBL8714151 0.94 CA2 (0.56) CA2PLCG1CA1MMP2CA12
SCHEMBL6915964 0.94 CA2 (0.56) CA2PLCG1CA1MMP2CA12
SCHEMBL6918764 0.94 CA2 (0.56) CA2PLCG1CA1MMP2CA12
Zinc Ion SCHEMBL6915196 0.94 CA2 (0.56) CA2PLCG1CA1MMP2CA12
SCHEMBL6914838 0.94 CA2 (0.56) CA2PLCG1CA1MMP2CA12
SCHEMBL6914699 0.94 CA2 (0.56) CA2PLCG1CA1MMP2CA12
SCHEMBL8714923 0.94 CA2 (0.56) CA2PLCG1CA1MMP2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118325091-A Side chain type sulfonated polyarylethersulfone (ketone) and preparation method and application thereof 吉林化工学院 2024-07-12 — — CN claimed
CN-116375907-A Method for producing sugammadex 默沙东有限责任公司 2023-07-04 — — CN claimed
CN-111777534-B Alkynyl sulfone compound and preparation method and application thereof 南京林业大学 2022-04-12 — — CN claimed
US-20210206884-A1 PROCESSES FOR THE PREPARATION OF SUGAMMADEX MERCK SHARP & DOHME CORP. (US) 2021-07-08 — — US claimed
EP-3802627-A1 PROCESSES FOR THE PREPARATION OF SUGAMMADEX Merck Sharp & Dohme Corp. (US) 2021-04-14 — — EP claimed
CN-112449642-A Process for preparing sugammadex 默沙东公司 2021-03-05 — — CN claimed
CN-110526847-B Synthesis method of N-aryl sulfuryl sulfoxide imine 成都理工大学 2021-01-19 — — CN claimed
CN-108276324-B Synthesis method of diaryl sulfone compound containing 2-diaryl methyl indole skeleton 苏州大学 2020-04-10 — — CN claimed
US-7008646-B2 Cubic liquid crystalline compositions and methods for their preparation CHILDREN'S HOSPITAL RESEARCH FOUNDATION 2006-03-07 — — US claimed
EP-0897808-B1 Recording sheets and ink jet printing processes therewith XEROX CORP (US) 2004-06-16 — — EP claimed
EP-1361865-A2 CUBIC LIQUID CRYSTALLINE COMPOSITIONS AND METHODS FOR THEIR PREPARATION THE PROCTER & GAMBLE COMPANY (US) 2003-11-19 — — EP claimed
US-20020160040-A1 Cubic liquid crystalline compositions and methods for their preparation CHILDREN'S HOSPITAL RESEARCH FOUNDATION 2002-10-31 — — US claimed
WO-2002066014-A2 CUBIC LIQUID CRYSTALLINE COMPOSITIONS AND METHODS FOR THEIR PREPARATION THE PROCTER & GAMBLE COMPANY (US) 2002-08-29 — — WO claimed
US-6117527-A RECORDING SHEET COMPRISING SUBSTRATE HAVING IMAGE-RECEIVING COATING ON SURFACE COMPRISING BINDER POLYMER AND SELECTED ADDITIVE; HIGH QUALITY IMAGES WITH REDUCED OR NO HAZE XEROX CORPORATION (US) 2000-09-12 — — US claimed
EP-0897808-A1 Recording sheets and ink jet printing processes therewith Xerox Corporation (US) 1999-02-24 — — EP claimed
US-12564546-B2 Self-tanning compositions containing an aromatic sulfonate and methods thereof KAO CORPORATION (JP) 2026-03-03 — — US disclosed
CN-115485240-B Sun-blocking compositions containing alkyl sulfonates and methods thereof 花王株式会社 2024-12-27 — — CN disclosed
US-5744678-A NICKEL COMPOUND, ORGANOPHOSPHORUS COMPOUND, ORGANOALUMINUM COMPOUND, CARBON-HALOGEN COMPOUNDS; CATALYST SELECTIVITY NIPPON OIL CO., LTD. (JP) 1998-04-28 — — US disclosed
EP-0758563-A1 OLEFIN OLIGOMERIZATION CATALYST AND PROCESS FOR THE PREPARATION OF OLEFIN OLIGOMER USING IT NIPPON OIL COMPANY, LTD. (JP) 1997-02-19 — — EP disclosed
US-5043510-A Aqueous alkylation process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-08-27 — — 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-20020160040-A1 Cubic liquid crystalline compositions and methods for their preparation SKP1, CCNB1, CRYAA CA2 364/4885CA1 54/4885CA12 639/4885
US-12564546-B2 Self-tanning compositions containing an aromatic sulfonate and methods thereof CUTA, TYR, TREH CA2 939/4885CA1 3800/4885CA12 666/4885

“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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