SCHEMBL2298447

SCHEMBL2298447

CCc1c(OS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])cc2oc(-c3ccc(Cl)cc3)c(C(=O)O)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
POLB P06746 2/20 0.36
ALOX5 P09917 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 2/20 0.33
KIF11 P52732 4/20 0.32
ANO1 Q5XXA6 2/20 0.31
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SRD5A2 P31213 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL2298490 0.78 EPAS1 (0.38) POLBALOX5PTPN22ANO1KDM4E
SCHEMBL2298446 0.75 ALOX5 (0.53) MAPTPOLBALOX5KMT2AMEN1
SCHEMBL14324620 0.73 ANO1 (0.39) MAPTPOLBKMT2AMEN1HTT
SCHEMBL16113986 0.73 CYP2C8 (0.39)
SCHEMBL1919590 0.67 MEN1 (0.44) MAPTPOLBALOX5KMT2AMEN1
SCHEMBL19401344 0.67 ANO1 (0.38) ANO1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6119754 0.67 MEN1 (0.44) MAPTPOLBALOX5KMT2AMEN1
SCHEMBL5123106 0.66 TDP1 (0.39) MAPTPOLBKMT2AMEN1HTT
SCHEMBL2297507 0.66 L3MBTL1 (0.38) MAPTPOLBKMT2AMEN1ANO1
SCHEMBL1918380 0.65 CYP3A4 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744342-B1 THERAPEUTIC METHODS GLAXOSMITHKLINE LLC (US) 2019-04-24 EP disclosed
US-10238678-B2 Therapeutic methods GLAXOSMITHKLINE LLC (US) 2019-03-26 US disclosed
EP-3199531-A1 BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS Glaxo Group Limited (GB) 2017-08-02 EP disclosed
US-9682999-B2 Benzofuran compounds for the treatment of hepatitis C virus infections GLAXO GROUP LIMITED (GB) 2017-06-20 US disclosed
US-20150320777-A1 Therapeutic Methods GLAXOSMITHKLINE LLC 2015-11-12 US disclosed
US-9119868-B2 Therapeutic methods GLAXOSMITHKLINE LLC (US) 2015-09-01 US disclosed
US-20150080343-A1 Benzofuran Compounds For The Treatment Of Hepatitis C Virus Infections GLAXO GROUP LIMITED (GB) 2015-03-19 US disclosed
US-8927593-B2 Benzofuran compounds for the treatment of hepatitis C virus infections GLAXO GROUP LIMITED (GB) 2015-01-06 US disclosed
US-20140212384-A1 Therapeutic Methods GLAXOSMITHKLINE LLC 2014-07-31 US disclosed
EP-2744342-A1 THERAPEUTIC METHODS GlaxoSmithKline LLC (US) 2014-06-25 EP disclosed
EP-2744332-A1 BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS Glaxo Group Limited (GB) 2014-06-25 EP disclosed
US-20130237501-A1 Benzofuran Compounds For The Treatment Of Hepatitis C Virus Infections GLAXO GROUP LIMITED (GB) 2013-09-12 US disclosed
WO-2013028371-A1 BENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS GLAXO GROUP LIMITED (GB) 2013-02-28 WO disclosed
WO-2013025992-A1 THERAPEUTIC METHODS GLAXOSMITHKLINE LLC (US) 2013-02-21 WO disclosed
WO-2011103063-A1 THERAPEUTIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-08-25 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 (5 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-20130237501-A1 Benzofuran Compounds For The Treatment Of Hepatitis C Virus Infections UGT1A1, CYP3A43, ZC3HAV1 MAPT 2574/4885POLB 1764/4885ALOX5 1161/4885
US-20150320777-A1 Therapeutic Methods HAVCR2, SLC10A1, OAT MAPT 3753/4885POLB 1718/4885ALOX5 1534/4885
US-20150080343-A1 Benzofuran Compounds For The Treatment Of Hepatitis C Virus Infections UGT1A1, CYP3A43, ZC3HAV1 MAPT 2574/4885POLB 1764/4885ALOX5 1161/4885
US-10238678-B2 Therapeutic methods HAVCR2, SLC10A1, OAT MAPT 3753/4885POLB 1718/4885ALOX5 1534/4885
US-20140212384-A1 Therapeutic Methods HAVCR2, SLC10A1, OAT MAPT 3753/4885POLB 1718/4885ALOX5 1534/4885

“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.