SCHEMBL6691371

SCHEMBL6691371

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

nearest known ligand 0.41

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 14)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 3/20 0.41
CA2 known ✓ P00918 3/20 0.41
TPMT P51580 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
FAAH O00519 1/20 0.30
MGLL Q99685 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
Potassium Ion SCHEMBL6695829 0.95 CA1 (0.37) CA1CA2TPMTMMP1MMP2
Lithium Ion SCHEMBL6693970 0.95 CA1 (0.37) CA1CA2TPMTMMP1MMP2
SCHEMBL3015881 0.74 CYP2A6 (0.42) CA1CA2MMP1MMP2MMP9
SCHEMBL749971 0.74 LMNA (0.42) CA1CA2
SCHEMBL6512877 0.74 IDO1 (0.33)
SCHEMBL10689245 0.74 MEN1 (0.42) CA1CA2MMP1MMP2MMP9
SCHEMBL161233 0.74 CA1 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL64752 0.74 ALDH1A1 (0.48) CA1CA2MMP1MMP2MMP9
SCHEMBL8090124 0.72 EPHX1 (0.37) CA2
SCHEMBL10724821 0.72 EPHX1 (0.37) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118359525-A Se-deuterated methyl-arylsulfonyl selenate compound and synthetic method and application thereof 浙江工业大学 2024-07-19 CN disclosed
CN-116082204-B Beta-sulfinyl alkenyl sulfone compound and preparation method and application thereof 华南师范大学 2024-07-12 CN disclosed
CN-114044730-B Synthesis method of sulfoxide compound 台州学院 2024-04-23 CN disclosed
CN-115197108-B Preparation method of gamma-ketosulfone compound 南华大学 2023-11-28 CN disclosed
CN-116082204-A Beta-sulfinyl alkenyl sulfone compound and preparation method and application thereof 华南师范大学 2023-05-09 CN disclosed
CN-115197108-A Preparation method of gamma-ketosulfone compound 南华大学 2022-10-18 CN disclosed
US-6784184-B2 FOR THERAPY OF RAS- ONCOGENE-DEPENDENT TUMORS, SUCH AS CANCERS OF PANCREAS, COLON, BLADDER, AND THYROID; USEFUL FOR CONTROLLING METASTASIS, SUPPRESSING ANGIOGENESIS, INDUCING APOPTOSIS, AND RAS-ASSOCIATED PROLIFERATIVE DISEASES WYETH HOLDINGS CORPORATION 2004-08-31 US disclosed
US-20040034257-A1 Novel sulfone derivatives and process for producing these SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-02-19 US disclosed
EP-1359143-A1 NOVEL SULFONE DERIVATIVES AND PROCESS FOR PRODUCING THESE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-11-05 EP disclosed
US-6605628-B1 Treatment of ras oncogene-dependent tumors; controlling metastasis, suppressing angiogenesis, inducing apoptosis WYETH HOLDINGS CORPORATION 2003-08-12 US disclosed
US-20030144301-A1 Method of using 5-(arysulfonyl)-, 5-(arylsulfanyl)-and 5-(arylsulfanyl)thiazolidine-2,4-diones for inhibition of farnesyl-protein transferase AMERICAN CYANAMID COMPANY (US) 2003-07-31 US disclosed
WO-2003018135-A1 METHOD OF USING 5-(ARYLSULFONYL)-,5-(ARYLSULFINYL), AND 5-(ARYLSULFANYL)-THIAZOLIDINE-2,4-DIONES FOR INHIBITION OF FARNESYL-PROTEIN TRANSFERASE WYETH HOLDINGS CORPORATION (US) 2003-03-06 WO disclosed
EP-1231197-A1 Process for producing allyl halide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-08-14 EP disclosed
US-20020107422-A1 Process for producing allyl halide compound SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2002-08-08 US disclosed
US-5153227-A Treatment of diabetes and galactosemia complications IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-06 US disclosed
EP-0304190-B1 (ARYLSULPHONYL)NITROMETHANES, PROCESS FOR THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-08 EP disclosed
EP-0304190-A1 (Arylsulphonyl)nitromethanes, process for their preparation and use in pharmaceutical compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-22 EP disclosed
US-4080497-A PESTICIDES THE DOW CHEMICAL COMPANY (US) 1978-03-21 US disclosed
US-3954746-A BACTERICIDES, FUNGICIDES THE DOW CHEMICAL COMPANY (US) 1976-05-04 US disclosed
US-3954747-A BACTERICIDES, FUNGICIDES THE DOW CHEMICAL COMPANY (US) 1976-05-04 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 (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-20030144301-A1 Method of using 5-(arysulfonyl)-, 5-(arylsulfanyl)-and 5-(arylsulfanyl)thiazolidine-2,4-diones for inhibition of farnesyl-protein transferase FNTB, FNTA, TST CA1 4014/4885CA2 3820/4885TPMT 58/4885
US-20040034257-A1 Novel sulfone derivatives and process for producing these RBP4, ADH4, RARB CA1 3756/4885CA2 3444/4885TPMT 1728/4885
US-20020107422-A1 Process for producing allyl halide compound ENY2, ZYX, RPS4Y1 CA1 4462/4885CA2 4250/4885TPMT 3347/4885

“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.