SCHEMBL9999815

SCHEMBL9999815

Cc1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 5/20 0.79
GNB1 P62873 5/20 0.79
P2RY4 P51582 12/20 0.78
P2RY2 P41231 7/20 0.78
P2RY12 Q9H244 6/20 0.78
P2RY6 Q15077 3/20 0.78
PHLPP2 Q6ZVD8 2/20 0.74
CYP1A2 P05177 2/20 0.74
CYP2C9 P11712 2/20 0.74
ALOX15 P16050 2/20 0.74
HSD17B10 Q99714 2/20 0.74
ALDH1A1 P00352 1/20 0.74
CYP3A4 P08684 1/20 0.74
HPGD P15428 1/20 0.74
MAPK1 P28482 1/20 0.74
CYP2C19 P33261 1/20 0.74
HIF1A Q16665 1/20 0.74
CDK2 P24941 2/20 0.60
P2RY1 P47900 2/20 0.60
MET P08581 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
SCHEMBL790819 0.99 GNG2 (0.77) GNG2GNB1P2RY4P2RY2P2RY12
SCHEMBL13214098 0.91 GNG2 (0.78) GNG2GNB1P2RY4P2RY2P2RY12
SCHEMBL3030977 0.89 GNG2 (0.76) GNG2GNB1P2RY4P2RY2P2RY12
SCHEMBL2778373 0.88 GNG2 (1.00) GNG2GNB1P2RY4P2RY2P2RY12
SCHEMBL9137161 0.88 GNG2 (0.82) GNG2GNB1P2RY4P2RY2P2RY12
SCHEMBL791019 0.88 GNG2 (0.85) GNG2GNB1P2RY4P2RY2P2RY12
SCHEMBL29357302 0.88 GNG2 (0.85) GNG2GNB1P2RY4P2RY2P2RY12
SCHEMBL790818 0.87 P2RY4 (1.00) P2RY4P2RY2P2RY12P2RY6CDK2
SCHEMBL13214229 0.87 GNG2 (0.87) GNG2GNB1P2RY4P2RY2P2RY12
SCHEMBL15371424 0.87 GNG2 (0.80) GNG2GNB1P2RY4P2RY2P2RY12

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 13 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-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-20160243066-A1 ANTHRAQUINONE COMPOUNDS AND THEIR USES DUNDALK INSTITUTE OF TECHNOLOGY (IE) 2016-08-25 US disclosed
US-20160215239-A1 DYE POLYMER CONOPCO, INC., D/B/A UNILEVER (US) 2016-07-28 US disclosed
US-9371611-B2 Mixtures of reactive dyes and their use HUNTSMAN INTERNATIONAL LLC (US) 2016-06-21 US disclosed
US-20150000051-A1 Mixtures of Reactive Dyes and Their Use HUNTSMAN INT LLC (US) 2015-01-01 US disclosed
US-8864850-B2 Mixtures of reactive dyes and their use HUNTSMAN INTERNATIONAL LLC (US) 2014-10-21 US disclosed
US-20140194392-A1 DRUG SCREENING METHOD NATIONAL CHIAO TUNG UNIVERSITY (TW) 2014-07-10 US disclosed
US-20130296588-A1 Anthraquinone Compounds and Their Uses DUNDALK INSTITUTE OF TECHNOLOGY (IE) 2013-11-07 US disclosed
US-20130296588-A1 Anthraquinone Compounds and Their Uses DUNDALK INSTITUTE OF TECHNOLOGY (IE) 2013-11-07 US disclosed
US-20130133142-A1 Mixtures of Reactive Dyes and Their Use HUNTSMAN INTERNATIONAL LLC (US) 2013-05-30 US disclosed
US-20120047663-A1 Method for reactive dyeing of leather EVERLIGHT USA, INC. (US) 2012-03-01 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 GNG2 342/4885GNB1 159/4885P2RY4 1539/4885
US-20140194392-A1 DRUG SCREENING METHOD ABCG2, ABCB1, TP53 GNG2 2952/4885GNB1 1084/4885P2RY4 4374/4885
US-20160243066-A1 ANTHRAQUINONE COMPOUNDS AND THEIR USES MYLK, MYLK2, MYH10 GNG2 345/4885GNB1 201/4885P2RY4 1744/4885

“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.