SCHEMBL590710

SCHEMBL590710

O=S(=O)([O-])c1cc(Cl)cc(/N=N/c2ccc3c(S(=O)(=O)[O-])cccc3c2O)c1O.[Na+].[Na+]

nearest known ligand 0.61

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 3/20 0.61
▸ CYP1A2 P05177 2/20 0.52
▸ NSD2 O96028 1/20 0.47
▸ MMP14 P50281 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ PTPN1 P18031 2/20 0.41
▸ DUSP5 Q16690 1/20 0.41
▸ ENPP2 Q13822 2/20 0.40
▸ CTRC Q99895 2/20 0.40
▸ APP P05067 1/20 0.40
▸ GLB1 P16278 1/20 0.40
▸ CHAT P28329 1/20 0.40
▸ PHLPP2 Q6ZVD8 1/20 0.40
▸ ALB P02768 1/20 0.40
▸ HSPD1 P10809 1/20 0.40
▸ HSPE1 P61604 1/20 0.40
▸ TST Q16762 1/20 0.40
▸ CTRB1 P17538 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 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
SCHEMBL11757423 0.86 THRB (0.56) THRBCYP1A2NSD2MMP14CASP6
SCHEMBL11754648 0.86 CYP1A2 (0.67) THRBCYP1A2NSD2MMP14CASP6
SCHEMBL5148283 0.86 CYP1A2 (0.67) THRBCYP1A2NSD2MMP14CASP6
SCHEMBL4759611 0.81 THRB (0.56) THRBCYP1A2NSD2MMP14CASP6
SCHEMBL10898942 0.80 NSD2 (0.63) THRBCYP1A2NSD2MMP14CASP6
SCHEMBL29670503 0.79 NSD2 (0.62) THRBCYP1A2NSD2MMP14CASP6
SCHEMBL29394629 0.78 THRB (0.65) THRBCYP1A2PTPN1DUSP5ENPP2
SCHEMBL11760057 0.78 NSD2 (0.76) THRBCYP1A2NSD2MMP14CASP6
SCHEMBL2940832 0.77 THRB (0.56) THRBCYP1A2PTPN1ENPP2CTRC
SCHEMBL10894104 0.76 NSD2 (0.61) THRBCYP1A2NSD2MMP14CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11884784-B2 Photodynamic compositions, methods of making, and uses thereof NORTH CAROLINA STATE UNIVERSITY (US) 2024-01-30 — — US claimed
US-11696969-B2 Ethylene oxide treatment indicator, label and method of use Global Life Sciences Solutions Operations UK Ltd (GB) 2023-07-11 — — US claimed
US-20190046678-A1 Ethylene Oxide Treatment Indicator, Label and Method of Use Global Life Sciences Solutions Operations UK Ltd (GB) 2019-02-14 — — US claimed
EP-3423116-A1 ETHYLENE OXIDE TREATMENT INDICATOR, LABEL AND METHOD OF USE GE Healthcare UK Limited (GB) 2019-01-09 — — EP claimed
WO-2006006969-A1 TEXTILE INK COMPOSITION KIMBERLY-CLARK WORLDWIDE, INC. (US) 2006-01-19 — — WO claimed
US-20060000034-A1 Textile ink composition KIMBERLY-CLARK WORLDWIDE, INC. 2006-01-05 — — US claimed
US-6531581-B1 When incorporated into hairpin oligonucleotides these quench the fluorescence of fluorophores linked to the 5'-terminus of the oligonucleotide SEROLOGICALS, INC. 2003-03-11 — — US claimed
EP-1086115-A2 PURINES AND PYRIMIDINES LINKED TO A QUENCHER Intergen Company (US) 2001-03-28 — — EP claimed
US-6117986-A QUENCHING FLUORESCENCE INTERGEN COMPANY, L.P. (US) 2000-09-12 — — US claimed
WO-1999064431-A2 PURINES AND PYRIMIDINES LINKED TO A QUENCHER INTERGEN COMPANY (US) 1999-12-16 — — WO claimed
US-4287481-A Dye lasers KLEINERMAN MARCOS 1981-09-01 — — US claimed
US-20260015651-A1 Solid Support for Sample Collection Global Life Sciences Solutions Operations UK Ltd (GB) 2026-01-15 — — US disclosed
US-20260009139-A1 FORMATION OF CONVERSION COATING WITH ENHANCED ADHESION PROMOTION HAMILTON SUNDSTRAND CORP (US) 2026-01-08 — — US disclosed
EP-4667216-A1 SHEET MATERIAL, PACKAGING CONTAINER, FLEXIBLE COMPOSITE AND METHOD FOR RECYCLING Camm Solutions (Spain) R&D, S.l.u. (ES) 2025-12-24 — — EP disclosed
US-12442032-B2 Solid support for sample collection Global Life Sciences Solutions Operations UK Ltd (GB) 2025-10-14 — — US disclosed
US-5344489-A Synthetic, monodispersed color pigments for the coloration of media such as printing inks, and method and apparatus for making same Kuehnle, Manfred R. (US) 1994-09-06 — — US disclosed
EP-0612337-A1 SYNTHETIC, MONODISPERSED COLOR PIGMENTS FOR THE COLORATION OF MEDIA SUCH AS PRINTING INKS, AND METHOD AND APPARATUS FOR MAKING SAME KUEHNLE, Manfred R. (US) 1994-08-31 — — EP disclosed
US-5318628-A A paint particles comprising a core surrounding multilayer of opaque layer, a dye layer and a polymeric protective coatings Kuehnle, Manfred R. (US) 1994-06-07 — — US disclosed
WO-1993010190-A1 SYNTHETIC, MONODISPERSED COLOR PIGMENTS FOR THE COLORATION OF MEDIA SUCH AS PRINTING INKS, AND METHOD AND APPARATUS FOR MAKING SAME KUEHNLE MANFRED K (US) 1993-05-27 — — WO disclosed
US-4287481-A Dye lasers KLEINERMAN MARCOS 1981-09-01 — — 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-20260009139-A1 FORMATION OF CONVERSION COATING WITH ENHANCED ADHESION PROMOTION ITGA1, ITGB1, YAP1 THRB 2155/4885CYP1A2 2048/4885NSD2 2075/4885
US-20260015651-A1 Solid Support for Sample Collection EWSR1, SETDB1, DNMT3A THRB 1942/4885CYP1A2 3005/4885NSD2 280/4885

“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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