SCHEMBL29625856

SCHEMBL29625856

Cc1cc(S(=O)(=O)[O-])ccc1N=Nc1c(O)ccc2ccccc12.[Na+]

nearest known ligand 0.67

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 5/20 0.67
PTPN1 P18031 3/20 0.58
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
HIF1A Q16665 2/20 0.57
HSD17B10 Q99714 2/20 0.57
TSHR P16473 1/20 0.57
PTPRA P18433 1/20 0.57
PTPRB P23467 1/20 0.57
CYP2C19 P33261 1/20 0.57
RAPGEF4 Q8WZA2 1/20 0.57
MAPT P10636 5/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
GLO1 Q04760 2/20 0.54
MPL P40238 2/20 0.51
CTRC Q99895 2/20 0.51
MAPK1 P28482 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
GAA P10253 2/20 0.51

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
SCHEMBL1435840 1.00 THRB (0.67) THRBPTPN1CYP1A2CYP2C9HIF1A
SCHEMBL1743198 1.00 THRB (0.67) THRBPTPN1CYP1A2CYP2C9HIF1A
SCHEMBL12955458 0.89 CYP1A2 (0.71) THRBCYP1A2CYP2C9HIF1AHSD17B10
SCHEMBL5160460 0.89 CYP1A2 (0.71) THRBCYP1A2CYP2C9HIF1AHSD17B10
SCHEMBL1435839 0.88 CYP1A2 (0.69) THRBCYP1A2CYP2C9HIF1AHSD17B10
SCHEMBL1435843 0.88 CYP1A2 (0.69) THRBCYP1A2CYP2C9HIF1AHSD17B10
SCHEMBL29414559 0.88 CYP1A2 (0.61) THRBPTPN1CYP1A2CYP2C9HIF1A
SCHEMBL2304218 0.88 CYP1A2 (0.61) THRBPTPN1CYP1A2CYP2C9HIF1A
SCHEMBL368222 0.88 CYP1A2 (0.61) THRBPTPN1CYP1A2CYP2C9HIF1A
SCHEMBL11758743 0.84 MAPT (0.61) THRBPTPN1CYP1A2CYP2C9HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112946140-B Method for detecting water-soluble anion synthetic pigment in food 广州市食品检验所(广州市酒类检测中心) 2023-03-21 CN claimed
WO-2022188373-A1 METHOD FOR DETECTING WATER-SOLUBLE ANIONIC SYNTHETIC PIGMENT IN FOOD 广州市食品检验所(广州市酒类检测中心) 2022-09-15 WO claimed
EP-3965738-B1 METHOD FOR PRODUCTION OF LIPOSOMES UNIV DO MINHO (PT) 2025-08-06 EP disclosed
US-20250092273-A1 WAX-BASED DRY ERASE INK CRAYOLA LLC (US) 2025-03-20 US disclosed
US-20250051975-A1 SYSTEMS AND METHODS FOR PRODUCING A BUNDLE OF FILAMENTS AND/OR A YARN ALADDIN MANUFACTURING CORPORATION 2025-02-13 US disclosed
US-20250051968-A1 SYSTEMS AND METHODS FOR PRODUCING A BUNDLE OF FILAMENTS AND/OR A YARN ALADDIN MANUFACTURING CORPORATION 2025-02-13 US disclosed
WO-2025014926-A1 COMPOSITIONS AND METHODS FOR PERMANENTLY OR REVERSIBLY COLORING FIBERS AND TEXTILES TANDEM REPEAT TECHNOLOGIES, INC. (US) 2025-01-16 WO disclosed
US-20250011973-A1 SYSTEMS & METHODS FOR PRODUCING A BUNDLE OF A COMBINATION OF FILAMENTS AND/OR A YARN ALADDIN MANUFACTURING CORPORATION 2025-01-09 US disclosed
CN-118414456-A System and method for producing filament bundles and/or yarns 美国阿拉丁制造公司 2024-07-30 CN disclosed
US-20240077489-A1 STYRYL PHENOLS, DERIVATIVES AND THEIR USE IN METHODS OF ANALYTE DETECTION AAT BIOQUEST, INC. 2024-03-07 US disclosed
US-20240052540-A1 MULTICOLORED TUFTED TEXTILES AND METHODS OF MAKING THE SAME ALADDIN MANUFACTURING CORPORATION 2024-02-15 US disclosed
US-20230323595-A1 WATER-SOLUBLE FILM BASED DELIVERY SYSTEMS FOR COLORANTS, GLITTER, AND OTHER CHEMISTRIES CRAYOLA LLC (US) 2023-10-12 US disclosed
US-20230310285-A1 DEVELOPER COMPOSITION COMPRISING DIRECT DYE L'OREAL (FR) 2023-10-05 US disclosed
CN-116669597-A Multicolor tufted textile and method of making the same 美国阿拉丁制造公司 2023-08-29 CN disclosed
WO-2023111759-A1 SYSTEMS AND METHODS FOR PRODUCING A BUNDLE OF FILAMENTS AND/OR A YARN ALADDIN MANUFACTURING CORPORATION (US) 2023-06-22 WO disclosed
WO-2023111758-A1 SYSTEMS AND METHODS FOR PRODUCING A BUNDLE OF FILAMENTS AND/OR A YARN ALADDIN MANUFACTURING CORPORATION (US) 2023-06-22 WO disclosed
CN-112946140-B Method for detecting water-soluble anion synthetic pigment in food 广州市食品检验所(广州市酒类检测中心) 2023-03-21 CN disclosed
WO-2022188373-A1 METHOD FOR DETECTING WATER-SOLUBLE ANIONIC SYNTHETIC PIGMENT IN FOOD 广州市食品检验所(广州市酒类检测中心) 2022-09-15 WO disclosed
US-20220241203-A1 METHOD FOR PRODUCTION OF LIPOSOMES UNIVERSIDADE DO MINHO (PT) 2022-08-04 US disclosed
WO-2022132965-A1 MULTICOLORED TUFTED TEXTILES AND METHODS OF MAKING THE SAME ALADDIN MANUFACTURING CORPORATION (US) 2022-06-23 WO 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-20240077489-A1 STYRYL PHENOLS, DERIVATIVES AND THEIR USE IN METHODS OF ANALYTE DETECTION STUB1, SPR, HLCS THRB 309/4885PTPN1 2844/4885CYP1A2 1428/4885
US-20230310285-A1 DEVELOPER COMPOSITION COMPRISING DIRECT DYE TYR, CYB5R3, POLR1C THRB 3735/4885PTPN1 3074/4885CYP1A2 177/4885

“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.