SCHEMBL1592210

SCHEMBL1592210

Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 5/20 0.76
▸ GNB1 P62873 5/20 0.76
▸ P2RY12 Q9H244 3/20 0.72
▸ CYP1A2 P05177 2/20 0.72
▸ CYP2C9 P11712 2/20 0.72
▸ ALOX15 P16050 2/20 0.72
▸ HSD17B10 Q99714 2/20 0.72
▸ P2RY4 P51582 2/20 0.63
▸ PHLPP2 Q6ZVD8 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ HPGDS O60760 1/20 0.59
▸ APEX1 P27695 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ NSD2 O96028 1/20 0.58
▸ POLB P06746 1/20 0.58

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
SCHEMBL18867033 0.89 P2RY12 (0.61) GNG2GNB1P2RY12CYP1A2CYP2C9
SCHEMBL18867032 0.89 GNG2 (0.71) GNG2GNB1P2RY12CYP1A2CYP2C9
SCHEMBL13214102 0.88 GNG2 (0.73) GNG2GNB1P2RY12CYP1A2CYP2C9
SCHEMBL8643316 0.88 GNG2 (0.61) GNG2GNB1P2RY12CYP1A2CYP2C9
SCHEMBL14642058 0.88 GNG2 (0.66) GNG2GNB1P2RY12CYP1A2CYP2C9
SCHEMBL11425002 0.87 GNG2 (0.68) GNG2GNB1P2RY12CYP1A2CYP2C9
SCHEMBL3032353 0.87 GNG2 (0.71) GNG2GNB1P2RY12CYP1A2CYP2C9
SCHEMBL10609900 0.87 GNG2 (0.71) GNG2GNB1P2RY12CYP1A2CYP2C9
SCHEMBL2778161 0.86 GNG2 (1.00) GNG2GNB1P2RY12CYP1A2CYP2C9
SCHEMBL29354288 0.86 GNG2 (1.00) GNG2GNB1P2RY12CYP1A2CYP2C9

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
EP-0099859-B1 PROCESS FOR DYEING DIFFERENTIAL-DYEING FIBRES CIBA-GEIGY AG (CH) 1987-04-01 — — EP claimed
EP-3102637-B1 METHOD FOR PURIFICATION OF ANTIBODIES, ANTIBODY FRAGMENTS OR ENGINEERED VARIANTS THEREOF USING SPECIFIC ANTHRAQUINONE DYE-LIGAND STRUCTURES BASF SE (DE) 2018-04-11 — — EP disclosed
EP-2129653-B1 NOVEL P2Y12 RECEPTOR ANTAGONISTS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2017-05-17 — — EP disclosed
US-9512315-B2 Quenching dye for labeling biomolecules and method for preparing the same DKC CORPORATION (KR) 2016-12-06 — — US disclosed
US-9512315-B2 Quenching dye for labeling biomolecules and method for preparing the same DKC CORPORATION (KR) 2016-12-06 — — US disclosed
US-20160347789-A1 Method for purification of antibodies, antibody fragments or engineered variants thereof using specific anthraquinone dye-ligand structures BASF SE (DE) 2016-12-01 — — US disclosed
US-20160347789-A1 Method for purification of antibodies, antibody fragments or engineered variants thereof using specific anthraquinone dye-ligand structures BASF SE (DE) 2016-12-01 — — US disclosed
US-20160266130-A1 QUENCHING DYE FOR LABELING BIOMOLECULES AND METHOD FOR PREPARING THE SAME DKC CORPORATION (KR) 2016-09-15 — — US disclosed
US-20160266130-A1 QUENCHING DYE FOR LABELING BIOMOLECULES AND METHOD FOR PREPARING THE SAME DKC CORPORATION (KR) 2016-09-15 — — US disclosed
EP-2918641-A1 Method for purification of antibodies, antibody fragments or engineered variants thereof using specific anthraquinone dye-ligand structures BASF SE (DE) 2015-09-16 — — EP disclosed
EP-0028203-A1 Process for carrying off the reaction heat from exothermal chemical reactions and apparatus for carrying out the process CIBA-GEIGY AG (CH) 1981-05-06 — — EP disclosed
US-4263206-A Reactive dyestuffs containing chlorine or fluorine substituents and one or more 1,3-dicyanobenzene radicals linked to the dyestuff at the 2-, 4- or 6-position IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-04-21 — — US disclosed
EP-0024668-A2 Reactive dyestuffs and their use in dyeing and printing hydroxyl groups and nitrogen containing materials BAYER AG (DE) 1981-03-11 — — EP disclosed
US-4255325-A AZO, ANTHRAQUINONE, FORMAZANE, AND PHTHALOCYANINE DYES; COLOR AND WASHFASTNESS; AMINO HALO TRIAZINE CARBAZIDE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1981-03-10 — — US disclosed
US-4242259-A TRIAZINE DYES, COTTON BAYER AKTIENGESELLSCHAFT (DE) 1980-12-30 — — US disclosed
EP-0013765-A1 Reactive azodyestuffs, their preparation and their use for dyeing materials containing hydroxyl or amide groups BAYER AG (DE) 1980-08-06 — — EP disclosed
US-4213899-A FOR CELLULOSE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-07-22 — — US disclosed
US-4065446-A Reactive dyestuffs containing urea alkylene linkage between chromophore and reactive radical BAYER AKTIENGESELLSCHAFT (DT) 1977-12-27 — — US disclosed
US-4001205-A WATER-SOLUBLE, FIBER-REACTIVE PHENYLAZODIHYDROXY, METHYL, CYANOPYRIDINE DYESTUFFS CIBA-GEIGY AG (CH) 1977-01-04 — — US disclosed
US-3956263-A 4-Methyl-2,6-dihydroxy-3-cyanopyridine containing dyestuffs CIBA-GEIGY AG (CH) 1976-05-11 — — 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 (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-20160347789-A1 Method for purification of antibodies, antibody fragments or engineered variants thereof using specific anthraquinone dye-ligand structures ANTXR2, FCGR3B, IGLV6-57 GNG2 215/4885GNB1 305/4885P2RY12 4455/4885

“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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