SCHEMBL791624

SCHEMBL791624

Nc1c(S(=O)(=O)O)cc(Nc2cccc(F)c2)c2c1C(=O)c1ccccc1C2=O.[NaH]

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY4 P51582 11/20 0.98
GNG2 P59768 5/20 0.77
GNB1 P62873 5/20 0.77
PHLPP2 Q6ZVD8 2/20 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
ALDH1A1 P00352 1/20 0.72
CYP3A4 P08684 1/20 0.72
HPGD P15428 1/20 0.72
MAPK1 P28482 1/20 0.72
CYP2C19 P33261 1/20 0.72
HIF1A Q16665 1/20 0.72
P2RY2 P41231 6/20 0.60
P2RY12 Q9H244 6/20 0.60
P2RY6 Q15077 3/20 0.59
CDK2 P24941 2/20 0.59
P2RY1 P47900 2/20 0.59
ENPP3 O14638 1/20 0.56

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
SCHEMBL15371397 0.99 P2RY4 (1.00) P2RY4GNG2GNB1PHLPP2CYP1A2
SCHEMBL790439 0.91 P2RY4 (0.81) P2RY4GNG2GNB1PHLPP2CYP1A2
SCHEMBL15371394 0.90 P2RY4 (0.83) P2RY4GNG2GNB1PHLPP2CYP1A2
SCHEMBL3030134 0.88 GNG2 (0.80) P2RY4GNG2GNB1PHLPP2CYP1A2
SCHEMBL3020872 0.88 GNG2 (0.98) P2RY4GNG2GNB1PHLPP2CYP1A2
SCHEMBL790823 0.88 GNG2 (0.83) P2RY4GNG2GNB1PHLPP2CYP1A2
SCHEMBL790523 0.87 GNG2 (0.79) P2RY4GNG2GNB1PHLPP2CYP1A2
SCHEMBL792757 0.87 GNG2 (0.79) P2RY4GNG2GNB1PHLPP2CYP1A2
SCHEMBL791497 0.87 GNG2 (0.85) P2RY4GNG2GNB1PHLPP2CYP1A2
SCHEMBL2778373 0.87 GNG2 (1.00) P2RY4GNG2GNB1PHLPP2CYP1A2

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 5 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
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

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-20130296588-A1 Anthraquinone Compounds and Their Uses MYLK, CYP11B2, MYOC P2RY4 1539/4885GNG2 342/4885GNB1 159/4885
US-20160243066-A1 ANTHRAQUINONE COMPOUNDS AND THEIR USES MYLK, MYLK2, MYH10 P2RY4 1744/4885GNG2 345/4885GNB1 201/4885

“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.