SCHEMBL29532

SCHEMBL29532

Nc1c(S(=O)(=O)[O-])cc(Nc2cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+]

nearest known ligand 0.66

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 6)

geneUniProtsupporting neighboursconfidence
P2RY4 known ✓ P51582 13/20 0.66
P2RY12 known ✓ Q9H244 10/20 0.66
P2RY2 known ✓ P41231 9/20 0.66
P2RY6 known ✓ Q15077 4/20 0.64
P2RY1 known ✓ P47900 2/20 0.64
CDK2 P24941 2/20 0.64

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
SCHEMBL29351453 1.00 P2RY4 (0.66) P2RY4P2RY12P2RY2P2RY6CDK2
SCHEMBL11233506 0.88 P2RY4 (0.68) P2RY4P2RY12P2RY2P2RY6CDK2
SCHEMBL30870099 0.85 GNG2 (0.71) P2RY4P2RY12P2RY2P2RY6CDK2
SCHEMBL2687745 0.85 GNG2 (0.71) P2RY4P2RY12P2RY2P2RY6CDK2
SCHEMBL791496 0.84 P2RY4 (0.77) P2RY4P2RY12P2RY2P2RY6CDK2
SCHEMBL19921893 0.84 GNG2 (0.70) P2RY4P2RY12P2RY2P2RY6CDK2
SCHEMBL9176117 0.82 GNG2 (0.70) P2RY4P2RY12P2RY2P2RY6CDK2
SCHEMBL16541422 0.81 GNG2 (0.68) P2RY4P2RY12P2RY2P2RY6CDK2
SCHEMBL791623 0.80 P2RY4 (1.00) P2RY4P2RY12P2RY2P2RY6CDK2
SCHEMBL790522 0.80 P2RY4 (1.00) P2RY4P2RY12P2RY2P2RY6CDK2

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

Appears in 4712 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025243218-A1 METHOD FOR MAKING CENTRALLY COLORED CONTACT LENSES ALCON INC. (CH) 2025-11-27 WO claimed
EP-4603894-A1 BLUE LIGHT BLOCKING CONTACT LENSES AND PREPARATION METHOD THEREFOR Pegavision Corporation (TW) 2025-08-20 EP claimed
CN-120119482-A High-dye-utilization-rate ink for ink-jet printing and preparation method thereof 青岛大学 2025-06-10 CN claimed
CN-120006539-A Fabric dyeing process with high dyeing stability 浙江宝龙纺织有限公司 2025-05-16 CN claimed
EP-3419542-B1 METHOD AND APPARATUS FOR TIGHTENING SKIN MASSACHUSETTS GEN HOSPITAL (US) 2025-05-14 EP claimed
CN-119955328-A Preparation method and dyeing method of oligosaccharide-based macromolecular dye 武汉纺织大学 2025-05-09 CN claimed
US-20250143865-A1 METHODS AND SYSTEMS FOR PREVENTING OR REDUCING STENOSIS IN A SUBJECT RECEIVING A GRAFT MASSACHUSETTS GEN HOSPITAL (US) 2025-05-08 US claimed
US-20250121118-A1 SYSTEMS, APPARATUSES, KITS, AND METHODS FOR MODIFICATION OF TISSUE USING A PHOTO-INITIATOR AND LIGHT DURVENA INC (US) 2025-04-17 US claimed
CN-119638918-A Colored silicon polymer material and preparation method thereof 江苏天眼医药科技股份有限公司 2025-03-18 CN claimed
CN-116216709-B Preparation method and application of graphite carbon catalyst 智盛信息科技(东莞)有限公司 2025-03-14 CN claimed
EP-0143406-A2 Liquid reactive dye compositions and their use HOECHST AKTIENGESELLSCHAFT (DE) 1985-06-05 EP claimed
EP-0037117-B1 AQUEOUS LIQUID DYE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-12-27 EP claimed
EP-0057905-B1 DYESTUFF PREPARATIONS AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1984-06-13 EP claimed
EP-0014326-B1 DYE COMPOSITION AND ITS USE FOR DYEING AND PRINTING CELLULOSE FIBERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-04-18 EP claimed
US-4349349-A Aqueous liquid composition of reactive dye SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-09-14 US claimed
EP-0057905-A1 Dyestuff preparations and their use HOECHST AKTIENGESELLSCHAFT (DE) 1982-08-18 EP claimed
EP-0037117-A2 Aqueous liquid dye composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-10-07 EP claimed
US-4283195-A Dyestuff composition for dyeing or printing cellulose fiber materials SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-08-11 US claimed
EP-0014326-A1 Dye composition and its use for dyeing and printing cellulose fibers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-08-20 EP claimed
US-4088441-A Dyestuff composition for the dyeing or printing of cellulose fiber materials HOECHST AKTIENGESELLSCHAFT (DT) 1978-05-09 US claimed