SCHEMBL790525

SCHEMBL790525

COc1ccccc1Nc1cc(S(=O)(=O)O)c(N)c2c1C(=O)c1ccccc1C2=O.[NaH]

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY4 P51582 11/20 0.78
P2RY2 P41231 7/20 0.78
GNG2 P59768 5/20 0.64
GNB1 P62873 5/20 0.64
PHLPP2 Q6ZVD8 2/20 0.60
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
ALOX15 P16050 2/20 0.57
HSD17B10 Q99714 2/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP3A4 P08684 1/20 0.57
HPGD P15428 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
HIF1A Q16665 1/20 0.57
MET P08581 1/20 0.57
P2RY12 Q9H244 3/20 0.55

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
SCHEMBL13214078 0.99 P2RY4 (0.79) P2RY4P2RY2GNG2GNB1PHLPP2
SCHEMBL11327959 0.87 P2RY4 (0.62) P2RY4P2RY2GNG2GNB1PHLPP2
SCHEMBL790524 0.86 P2RY4 (1.00) P2RY4P2RY2METP2RY12
SCHEMBL790527 0.86 P2RY4 (0.58) P2RY4P2RY2GNG2GNB1PHLPP2
SCHEMBL3032353 0.86 GNG2 (0.71) P2RY4P2RY2GNG2GNB1PHLPP2
SCHEMBL28444449 0.85 P2RY4 (0.74) P2RY4P2RY2GNG2GNB1PHLPP2
SCHEMBL3033640 0.84 GNG2 (0.70) P2RY4P2RY2GNG2GNB1PHLPP2
SCHEMBL15373423 0.84 P2RY4 (0.59) P2RY4P2RY2GNG2GNB1PHLPP2
SCHEMBL13214102 0.84 GNG2 (0.73) P2RY4P2RY2GNG2GNB1PHLPP2
SCHEMBL8646673 0.84 P2RY4 (0.59) P2RY4P2RY2GNG2GNB1PHLPP2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9877940-B2 Anthraquinone compounds and their uses DUNDALK INSTITUTE OF TECHNOLOGY (IE) 2018-01-30 US disclosed
EP-2129653-B1 NOVEL P2Y12 RECEPTOR ANTAGONISTS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2017-05-17 EP disclosed
US-20160243066-A1 ANTHRAQUINONE COMPOUNDS AND THEIR USES DUNDALK INSTITUTE OF TECHNOLOGY (IE) 2016-08-25 US disclosed
US-20130296588-A1 Anthraquinone Compounds and Their Uses DUNDALK INSTITUTE OF TECHNOLOGY (IE) 2013-11-07 US disclosed
EP-2616449-A1 ANTHRAQUINONE COMPOUNDS AND THEIR USES Dundalk Institute of Technology (IE) 2013-07-24 EP disclosed
WO-2012035122-A1 ANTHRAQUINONE COMPOUNDS AND THEIR USES DUNDALK INSTITUTE OF TECHNOLOGY (IE) 2012-03-22 WO disclosed
US-20100210654-A1 NOVEL P2Y12 RECEPTOR ANTAGONISTS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT BONN (DE) 2010-08-19 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-20130296588-A1 Anthraquinone Compounds and Their Uses MYLK, CYP11B2, MYOC P2RY4 1539/4885P2RY2 953/4885GNG2 342/4885
US-20100210654-A1 NOVEL P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY11, P2RY13 P2RY4 8/4885P2RY2 5/4885GNG2 233/4885
US-20160243066-A1 ANTHRAQUINONE COMPOUNDS AND THEIR USES MYLK, MYLK2, MYH10 P2RY4 1744/4885P2RY2 1113/4885GNG2 345/4885

“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.