SCHEMBL666491

SCHEMBL666491

COC(=O)c1cc(B(O)O)c(C)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
KDM4E B2RXH2 9/20 0.46
POLB P06746 4/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 5/20 0.40
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
MEN1 O00255 1/20 0.38
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37

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
SCHEMBL6781993 0.82 KDM4E (0.56) GAAKDM4EPOLBHTTALDH1A1
SCHEMBL29951344 0.81 GAA (0.59) GAAKDM4EPOLBHTTALDH1A1
SCHEMBL21649334 0.79 ALDH1A1 (0.37) GAAKDM4EPOLBALDH1A1LMNA
SCHEMBL6582728 0.79 KDM4E (0.67) GAAKDM4EPOLBHTTALDH1A1
SCHEMBL31335674 0.78 GAA (0.54) GAAKDM4EPOLBHTTALDH1A1
SCHEMBL28707342 0.78 GAA (0.64) GAAKDM4EPOLBHTTALDH1A1
SCHEMBL24329339 0.77 GAA (0.50) GAAKDM4EPOLBHTTALDH1A1
SCHEMBL166802 0.77 GAA (0.50) GAAKDM4EPOLBHTTALDH1A1
SCHEMBL11385067 0.77 GAA (0.63) GAAKDM4EPOLBHTTALDH1A1
SCHEMBL1918973 0.77 GAA (0.50) GAAKDM4EPOLBHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738653-B2 Fused furans for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-9738653-B2 Fused furans for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-9738653-B2 Fused furans for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
EP-2970174-B1 FUSED FURANS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-05-03 EP disclosed
EP-2970174-B1 FUSED FURANS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-05-03 EP disclosed
US-20160024103-A1 FUSED FURANS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2016-01-28 US disclosed
EP-2970174-A1 FUSED FURANS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
WO-2014159559-A1 FUSED FURANS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-02 WO disclosed
WO-2014159559-A1 FUSED FURANS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-02 WO disclosed
EP-2539340-B1 PYRAZOLOPYRIDAZINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-08-27 EP disclosed
EP-2539340-A1 PYRAZOLOPYRIDAZINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-02 EP disclosed
US-8324212-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-20120046294-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-02-23 US disclosed
WO-2011106340-A1 PYRAZOLOPYRIDAZINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-01 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-20160024103-A1 FUSED FURANS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, GOT1 GAA 1059/4885KDM4E 4204/4885POLB 2615/4885
US-20120046294-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 GAA 162/4885KDM4E 4218/4885POLB 921/4885

“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.