SCHEMBL4650171

SCHEMBL4650171

Nc1cc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)ccc1S(=O)(=O)O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 5/20 0.78
GNB1 P62873 5/20 0.78
P2RY4 P51582 5/20 0.71
PHLPP2 Q6ZVD8 2/20 0.70
CYP1A2 P05177 2/20 0.70
CYP2C9 P11712 2/20 0.70
ALOX15 P16050 2/20 0.70
HSD17B10 Q99714 2/20 0.70
ALDH1A1 P00352 1/20 0.70
CYP3A4 P08684 1/20 0.70
HPGD P15428 1/20 0.70
MAPK1 P28482 1/20 0.70
CYP2C19 P33261 1/20 0.70
HIF1A Q16665 1/20 0.70
P2RY12 Q9H244 6/20 0.63
HPGDS O60760 1/20 0.61
P2RY2 P41231 5/20 0.61
P2RY6 Q15077 3/20 0.61
ENTPD1 P49961 3/20 0.61
MET P08581 2/20 0.60

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
SCHEMBL13021512 0.91 GNG2 (0.92) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL6876404 0.90 GNG2 (0.78) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL11443152 0.90 GNG2 (0.73) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL8381254 0.90 GNG2 (0.64) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL9179380 0.89 GNG2 (0.66) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL3026734 0.89 GNG2 (0.76) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL3026737 0.89 GNG2 (0.76) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL8641000 0.89 GNG2 (0.61) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL8642752 0.89 GNG2 (0.61) GNG2GNB1P2RY4PHLPP2CYP1A2
SCHEMBL7591887 0.88 GNG2 (0.74) GNG2GNB1P2RY4PHLPP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129653-B1 NOVEL P2Y12 RECEPTOR ANTAGONISTS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2017-05-17 EP 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-8227599-B2 Adsorbents comprising anthraquinone dye-ligends for the separation of biological materials BASF SE (DE) 2012-07-24 US disclosed
US-8227599-B2 Adsorbents comprising anthraquinone dye-ligends for the separation of biological materials BASF SE (DE) 2012-07-24 US disclosed
EP-1866379-B1 ADSORBENTS COMPRISING ANTHRAQUINONE DYE-LIGANDS FOR THE SEPARATION OF BIOLOGICAL MATERIALS BASF SE (DE) 2011-05-18 EP disclosed
US-20100210654-A1 NOVEL P2Y12 RECEPTOR ANTAGONISTS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT BONN (DE) 2010-08-19 US disclosed
US-20100210654-A1 NOVEL P2Y12 RECEPTOR ANTAGONISTS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT BONN (DE) 2010-08-19 US disclosed
US-20090081757-A1 Adsorbents Comprising Anthraquinone Dye-Ligends for the Separation of Biological Materials CIBA CORPORATION 2009-03-26 US disclosed
US-20090081757-A1 Adsorbents Comprising Anthraquinone Dye-Ligends for the Separation of Biological Materials CIBA CORPORATION 2009-03-26 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-4141890-A FIBER-REACTIVE CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed
US-4129736-A FIBER-REACTIVE CIBA-GEIGY CORPORATION (US) 1978-12-12 US disclosed
US-4092308-A 4-Sulphomethyl substituted hydroxypyridone azo dyestuffs CIBA-GEIGY CORPORATION (US) 1978-05-30 US disclosed
US-4079051-A 4-Halogeno-s-triazin-2-yl-phosphoramide acid containing reactive dyestuffs CIBA-GEIGY CORPORATION (US) 1978-03-14 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-4039523-A YELLOW CIBA-GEIGY AG (CH) 1977-08-02 US disclosed
US-4033944-A Fibre-reactive hydroxycycloalkenyl-halo triazinyl containing dyestuffs CIBA-GEIGY CORPORATION (US) 1977-07-05 US disclosed
US-4017477-A 3-Halogeno-6-hydroxy-pyridone-(2) azo dyestuffs CIBA-GEIGY AG (CH) 1977-04-12 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 (3 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-20100210654-A1 NOVEL P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY11, P2RY13 GNG2 233/4885GNB1 314/4885P2RY4 8/4885
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 305/4885P2RY4 4045/4885
US-20090081757-A1 Adsorbents Comprising Anthraquinone Dye-Ligends for the Separation of Biological Materials LY96, AAAS, AASDHPPT GNG2 433/4885GNB1 285/4885P2RY4 2848/4885

“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.