SCHEMBL5604937

SCHEMBL5604937

CC(C)c1ccc2c(C(C)C)cc(S(=O)(=O)[O-])cc2c1.[Na+]

nearest known ligand 0.40

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
THRB known ✓ P10828 2/20 0.33
FGF1 known ✓ P05230 1/20 0.31
SIRT1 Q96EB6 1/20 0.40
PRMT1 Q99873 1/20 0.40
PTPN1 P18031 2/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.33
DUSP5 Q16690 1/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL29618435 1.00 SIRT1 (0.40) SIRT1PRMT1PTPN1AKR1C3AKR1C2
SCHEMBL11143422 0.83 FABP3 (0.45) PRMT1AKR1C3AKR1C2FABP3FABP4
SCHEMBL29389505 0.83 FABP3 (0.45) PRMT1AKR1C3AKR1C2FABP3FABP4
SCHEMBL2171636 0.76 GABRA1 (0.42) LMNAFABP3FABP4FABP5ALDH1A1
SCHEMBL67964 0.72 ALDH1A1 (0.50) LMNATDP1MAPTMCOLN3KDM4E
Sulfuric Acid SCHEMBL8078542 0.71 LMNA (0.46) PTPN1LMNATDP1MAPTDUSP5
SCHEMBL6733281 0.70 LMNA (0.43) PTPN1LMNATDP1MAPTDUSP5
SCHEMBL8406672 0.70 ALDH1A1 (0.48) LMNATDP1MAPTMCOLN3KDM4E
Sulfuric Acid SCHEMBL8103454 0.70 ALDH1A1 (0.48) LMNATDP1MAPTMCOLN3KDM4E
SCHEMBL11323820 0.70 FABP3 (0.43) LMNAMAPTFABP3FABP4FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250366468-A1 MIXTURES AND COMPOSITIONS COMPRISING 5-FLUORO-4-IMINO-3-METHYL-1-TOSYL-3,4-DIHYDROPYRIMIDIN-2-ONE, AND METHODS OF USE THEREOF ADAMA MAKHTESHIM LTD. (IL) 2025-12-04 US disclosed
US-20250302034-A1 LOW DRIFT TANK MIX ADDITIVE FOR LOW, MEDIUM, AND HIGH SPRAY VOLUME APPLICATION BAYER AKTIENGESELLSCHAFT (DE) 2025-10-02 US disclosed
US-12414559-B2 Mixtures and compositions comprising 5-fluoro-4-imino-3-methyl-1-tosyl-3,4-dihydropyrimidin-2-one, and methods of use thereof ADAMA MAKHTESHIM LTD. (IL) 2025-09-16 US disclosed
US-20250275532-A1 LOW DRIFT AQUEOUS LIQUID FORMULATIONS FOR LOW, MEDIUM, AND HIGH SPRAY VOLUME APPLICATION BAYER AKTIENGESELLSCHAFT (DE) 2025-09-04 US disclosed
EP-3337318-B1 OIL-BASED SUSPENSION CONCENTRATES WITH LOW GRAVITATIONAL SEPARATION AND LOW VISCOSITY BAYER CROPSCIENCE AG (DE) 2025-07-16 EP disclosed
CN-112080083-B High-efficiency flame-retardant heat-insulating expandable polystyrene and graphite composite material and preparation method thereof 天津嘉泰伟业化工有限公司 2025-03-07 CN disclosed
US-20240268387-A1 AGROCHEMICAL COMPOSITION WITH IMPROVED DRIFT, SPREADING AND RAINFASTNESS PROPERTIES BAYER AG (DE) 2024-08-15 US disclosed
US-20240268376-A1 AGROCHEMICAL COMPOSITION WITH IMPROVED DRIFT, SPREADING AND UPTAKE PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2024-08-15 US disclosed
US-20240237649-A1 CRYSTALLINE FORMS OF 5-FLUORO-4-IMINO-3-METHYL-1-TOSYL-3,4-DIHYDROPYRIMIDIN-2-ONE, AND MIXTURES, COMPOSITIONS AND METHODS OF USE THEREOF ADAMA MAKHTESHIM LTD. (IL) 2024-07-18 US disclosed
US-20240032532-A1 AGROCHEMICAL COMPOSITION WITH IMPROVED DRIFT, UPTAKE AND RAINFASTNESS PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2024-02-01 US disclosed
EP-3238540-A1 TIMED-RELEASE-TYPE GRANULAR AGROCHEMICAL COMPOSITION AND METHOD FOR MANUFACTURING SAME Bayer CropScience Aktiengesellschaft (DE) 2017-11-01 EP disclosed
CN-105286096-B Sweat discharge underwear fabric 浙江剑利美针织服饰有限公司 2017-01-25 CN disclosed
CN-106121093-A A kind of agricultural greenhouse body of wall soil property processing technology and agricultural greenhouse body of wall thereof 兰州博林生态养生苑有限责任公司 2016-11-16 CN disclosed
CN-105603749-A Wedding dress fabric SHANGHAI WANJING TEXTILE SCIENCE & TECH CO LTD 2016-05-25 CN disclosed
CN-105286096-A Sweat discharge underwear fabric SHANGHAI WANJING TEXTILE SCIENCE & TECHNOLOGY CO L 2016-02-03 CN disclosed
CN-101208280-A Fertilizer-compatible composition BAYER CROPSCIENCE LP (US) 2008-06-25 CN disclosed
EP-1843993-A1 FERTILIZER-COMPATIBLE COMPOSITION Bayer Cropscience LP (US) 2007-10-17 EP disclosed
US-20060166939-A1 Fertilizer-compatible composition BAYER CROPSCIENCE LP 2006-07-27 US disclosed
WO-2006079079-A1 FERTILIZER-COMPATIBLE COMPOSITION BAYER CROPSCIENCE LP (US) 2006-07-27 WO disclosed
US-20060166898-A1 Fertilizer-compatible composition BAYER CROPSCIENCE LP 2006-07-27 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 (5 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-20250366468-A1 MIXTURES AND COMPOSITIONS COMPRISING 5-FLUORO-4-IMINO-3-METHYL-1-TOSYL-3,4-DIHYDROPYRIMIDIN-2-ONE, AND METHODS OF USE THEREOF FFAR3, FFAR1, FFAR4 THRB 2622/4885FGF1 806/4885SIRT1 3134/4885
US-20060166939-A1 Fertilizer-compatible composition PPA1, PFAS, PFKFB2 THRB 3617/4885FGF1 618/4885SIRT1 3930/4885
US-20060166898-A1 Fertilizer-compatible composition MYB, PPA1, GFPT1 THRB 4045/4885FGF1 231/4885SIRT1 4273/4885
US-20240237649-A1 CRYSTALLINE FORMS OF 5-FLUORO-4-IMINO-3-METHYL-1-TOSYL-3,4-DIHYDROPYRIMIDIN-2-ONE, AND MIXTURES, COMPOSITIONS AND METHODS OF USE THEREOF NT5C, RCC1, INF2 THRB 4473/4885FGF1 1571/4885SIRT1 2094/4885
US-12414559-B2 Mixtures and compositions comprising 5-fluoro-4-imino-3-methyl-1-tosyl-3,4-dihydropyrimidin-2-one, and methods of use thereof FFAR3, FFAR1, FFAR4 THRB 2634/4885FGF1 791/4885SIRT1 3175/4885

“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.