SCHEMBL9706813

SCHEMBL9706813

Cc1cc(S(=O)(=O)[O-])c(N)cc1Cl.[Na+]

nearest known ligand 0.52

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
CA12 known ✓ O43570 8/20 0.44
CA1 known ✓ P00915 8/20 0.44
CA2 known ✓ P00918 8/20 0.44
CA4 known ✓ P22748 2/20 0.44
P2RY4 known ✓ P51582 2/20 0.40
CD44 P16070 1/20 0.52
CA9 Q16790 8/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
CA3 P07451 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
SOD1 P00441 1/20 0.36

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 SCHEMBL28541293 0.96 CD44 (0.52) CD44CA12CA1CA2CA9
SCHEMBL28368261 0.93 CD44 (0.52) CD44CA12CA1CA2CA9
SCHEMBL375491 0.81 CD44 (0.56) CD44CA12CA1CA2CA9
SCHEMBL1806979 0.81 CA1 (0.68) CD44CA12CA1CA2CA9
SCHEMBL10400529 0.80 CA1 (0.50) CD44CA12CA1CA2CA9
SCHEMBL72936 0.79 CD44 (0.54) CD44CA12CA1CA2CA9
SCHEMBL29489238 0.79 CD44 (0.54) CD44CA12CA1CA2CA9
SCHEMBL9706822 0.78 CD44 (0.52) CD44CA12CA1CA2CA9
SCHEMBL30586216 0.78 CD44 (0.52) CD44CA12CA1CA2CA9
SCHEMBL9753030 0.76 CD44 (0.55) CD44CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-220677835-U Preparation equipment of 2-chloro-4-aminotoluene-5-sodium sulfonate 浙江正大新材料科技股份有限公司 2024-03-29 CN claimed
CN-108404644-B Formaldehyde trapping agent and preparation and application methods thereof 福建工程学院 2021-03-30 CN claimed
JP-3072573-A None JP disclosed
CN-119114152-A Free radical generating catalyst, method for producing free radical, method for producing oxidation reaction product, pharmaceutical agent, and agricultural and livestock pharmaceutical agent 株式会社ACENET 2024-12-13 CN disclosed
CN-118695780-A Composition and method for producing the same 阿斯制药株式会社 2024-09-24 CN disclosed
CN-110769931-B Free radical generating catalyst, method for producing free radical, method for producing oxidation reaction product, pharmaceutical agent, and agricultural and livestock pharmaceutical agent 株式会社ACENET 2024-09-17 CN disclosed
CN-220677835-U Preparation equipment of 2-chloro-4-aminotoluene-5-sodium sulfonate 浙江正大新材料科技股份有限公司 2024-03-29 CN disclosed
CN-220677835-U Preparation equipment of 2-chloro-4-aminotoluene-5-sodium sulfonate 浙江正大新材料科技股份有限公司 2024-03-29 CN disclosed
CN-220677835-U Preparation equipment of 2-chloro-4-aminotoluene-5-sodium sulfonate 浙江正大新材料科技股份有限公司 2024-03-29 CN disclosed
US-20240000084-A1 ANTIPATHOGENIC AGENT, ANTIBACTERIAL AGENT, ANTIVIRAL AGENT, PATHOGEN DISPOSAL DEVICE, ANTIPATHOGENIC AGENT PRODUCTION METHOD, ANTIBACTERIAL TREATMENT METHOD, VIRUS INACTIVATION METHOD, AND PATHOGEN DISPOSAL METHOD ACENET INC. (JP) 2024-01-04 US disclosed
CN-117281115-A Free radical generating catalyst, method for producing free radical, method for producing oxidation reaction product, pharmaceutical agent, and agricultural and livestock pharmaceutical agent 株式会社ACENET 2023-12-26 CN disclosed
CN-103387754-A Method for producing pigment red 48:2 with excellent heat resistance and migration resistance CROWN CHEMICAL CO LTD 2013-11-13 CN disclosed
CN-1314437-A Raw material compound and its producing method ABURAI MASAYUKI (JP) 2001-09-26 CN disclosed
EP-0222335-B1 NON-BRONZING REDDISH LAKE PIGMENT DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-08-19 EP disclosed
JP-H0372573-A NEW CRYSTALLINE MONOAZO LAKE PIGMENT AND PRINTING INK COMPOSITION TOYO INK MFG CO LTD 1991-03-27 JP disclosed
EP-0202906-B1 PROCESS FOR PRODUCING AZO LAKE PIGMENTS DAINIPPON INK AND CHEMICALS, INC. (JP) 1989-01-25 EP disclosed
US-4767844-A COUPLING DIAZO COMPONENT HAVING SULFONIC ACID GROUP WITH A MIXTURE OF 2-HYDROXY-3-NAPHTHOIC ACID AND THE AMIDE DERIVATIVES THEREOF DAINIPPON INK AND CHEMICALS, INC. (JP) 1988-08-30 US disclosed
US-4711674-A SURFACE TREATMENT WITH N-(3-ALKOXY-2-HYDROXYPROPYL)TRIALKYL AMMONIUM SALT DAINIPPON INK AND CHEMICALS, INC. (JP) 1987-12-08 US disclosed
EP-0222335-A2 Non-bronzing reddish lake pigment DAINIPPON INK AND CHEMICALS, INC. (JP) 1987-05-20 EP disclosed
EP-0202906-A1 Process for producing azo lake pigments DAINIPPON INK AND CHEMICALS, INC. (JP) 1986-11-26 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 (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-20240000084-A1 ANTIPATHOGENIC AGENT, ANTIBACTERIAL AGENT, ANTIVIRAL AGENT, PATHOGEN DISPOSAL DEVICE, ANTIPATHOGENIC AGENT PRODUCTION METHOD, ANTIBACTERIAL TREATMENT METHOD, VIRUS INACTIVATION METHOD, AND PATHOGEN DISPOSAL METHOD EIF2AK2, HAO2, ZC3HAV1 CA12 2256/4885CA1 3911/4885CA2 2225/4885

“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.