SCHEMBL252045

SCHEMBL252045

COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.41
KDM4E B2RXH2 6/20 0.39
HTT P42858 1/20 0.36
POLB P06746 3/20 0.36
UCHL1 P09936 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 3/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.34
RECQL P46063 1/20 0.34
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
CSF1R P07333 1/20 0.33

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
SCHEMBL1918526 0.87 UCHL1 (0.36) GAAKDM4EPOLBUCHL1ALDH1A1
SCHEMBL2849236 0.87 TDP1 (0.42) GAAKDM4EHTTPOLBUCHL1
SCHEMBL31537484 0.85 GAA (0.40) GAAKDM4EHTTPOLBUCHL1
SCHEMBL3336509 0.85 GAA (0.50) GAAKDM4EHTTPOLBUCHL1
SCHEMBL17201292 0.84 CA12 (0.41) GAAKDM4EHTTPOLBUCHL1
SCHEMBL23496925 0.83 KDM4E (0.42) GAAKDM4EHTTPOLBUCHL1
SCHEMBL16113731 0.83 UCHL1 (0.34) GAAKDM4EUCHL1ALDH1A1MAPT
SCHEMBL17239603 0.83 MEN1 (0.38) GAAKDM4EHTTUCHL1ALDH1A1
SCHEMBL29891154 0.82 GAA (0.40) GAAKDM4EHTTPOLBUCHL1
SCHEMBL3515967 0.82 GAA (0.40) GAAKDM4EHTTPOLBUCHL1

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161837-B2 Benzofuran derivatives for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-02 US disclosed
US-20200291002-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2020-09-17 US disclosed
WO-2017165233-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-28 WO disclosed
EP-2831066-B1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2016-10-05 EP disclosed
EP-2326633-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2015-12-16 EP disclosed
US-9096580-B2 Benzofuran derivatives for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-04 US disclosed
US-20150141395-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2015-05-21 US disclosed
EP-2831066-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2015-02-04 EP disclosed
EP-2649067-B1 BENZOFURANE DERIVATIVES FOR THE TREATMENT OF HEPATITITS C BRISTOL MYERS SQUIBB CO (US) 2014-11-19 EP disclosed
EP-2588464-B1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITS C BRISTOL MYERS SQUIBB CO (US) 2014-08-06 EP disclosed
WO-2011112191-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
US-7994171-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
EP-2326633-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2011-06-01 EP disclosed
US-20100249094-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 US disclosed
US-20100093694-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
WO-2010030592-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-18 WO disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
EP-2119718-A1 MACROCYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2009-11-18 EP 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 (6 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-20100056510-A1 Macrocyclic Compound HSP90AB1, HSP90B1, HSP90AA1 GAA 362/4885KDM4E 2183/4885HTT 891/4885
US-20150141395-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HAVCR2, UGT2B7, GOT1 GAA 456/4885KDM4E 3000/4885HTT 4758/4885
US-20100249094-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 GAA 162/4885KDM4E 4218/4885HTT 4681/4885
US-20200291002-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HAVCR2, UGT2B7, GOT1 GAA 480/4885KDM4E 3114/4885HTT 4741/4885
US-20100093694-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 GAA 162/4885KDM4E 4218/4885HTT 4681/4885
US-11161837-B2 Benzofuran derivatives for the treatment of hepatitis C HAVCR2, UGT2B7, GOT1 GAA 480/4885KDM4E 3114/4885HTT 4741/4885

“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.