SCHEMBL756477

SCHEMBL756477

COC(=O)c1ncccc1OS(=O)(=O)OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
NFE2L2 Q16236 3/20 0.40
ACLY P53396 1/20 0.39
KMT2A Q03164 1/20 0.39
RORC P51449 1/20 0.38
TLR7 Q9NYK1 2/20 0.38
MAP2K1 Q02750 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HCRTR1 O43613 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL535696 0.84 L3MBTL1 (0.48) L3MBTL1NFE2L2ACLYKMT2ARORC
SCHEMBL17249893 0.82 L3MBTL1 (0.46) L3MBTL1NFE2L2ACLYKMT2ARORC
SCHEMBL31471005 0.80 L3MBTL1 (0.53) L3MBTL1NFE2L2KMT2ATLR7MAP2K1
SCHEMBL7842884 0.80 L3MBTL1 (0.44) L3MBTL1NFE2L2ACLYRORCTLR7
SCHEMBL1173445 0.78 L3MBTL1 (0.50) L3MBTL1NFE2L2KMT2AHCRTR1
SCHEMBL6567848 0.75 L3MBTL1 (0.54) L3MBTL1NFE2L2ACLYKMT2ATLR7
SCHEMBL312146 0.75 L3MBTL1 (0.60) L3MBTL1NFE2L2KMT2AMAP2K1ALOX15
SCHEMBL2346222 0.74 L3MBTL1 (0.55) L3MBTL1NFE2L2TLR7MAP2K1ALOX15
SCHEMBL3653582 0.74 L3MBTL1 (0.58) L3MBTL1KMT2AMAP2K1ALOX15HTT
Hydrochloric Acid SCHEMBL11097642 0.74 L3MBTL1 (0.58) L3MBTL1NFE2L2KMT2AMAP2K1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 EP disclosed
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 EP disclosed
EP-2499115-B1 PROCESS FOR PREPARING HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB HOLDINGS IRELAND (CH) 2016-07-27 EP disclosed
US-9303007-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-05 US disclosed
US-9303007-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-05 US disclosed
US-20150322031-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 US disclosed
US-20150322031-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 US disclosed
US-20110269956-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110130433-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-06-02 US disclosed
US-20110098327-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 US disclosed
US-20100303755-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-12-02 US disclosed
US-20100260708-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-10-14 US disclosed
US-20100249190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 US disclosed
US-20100080772-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 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 (12 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-20110237636-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS L3MBTL1 2136/4885NFE2L2 1281/4885ACLY 1583/4885
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL L3MBTL1 3648/4885NFE2L2 2966/4885ACLY 585/4885
US-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS L3MBTL1 3763/4885NFE2L2 2725/4885ACLY 494/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS L3MBTL1 3763/4885NFE2L2 2725/4885ACLY 494/4885
US-20100249190-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS L3MBTL1 2136/4885NFE2L2 1281/4885ACLY 1583/4885
US-20150322031-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS L3MBTL1 3763/4885NFE2L2 2725/4885ACLY 494/4885
US-20100080772-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS L3MBTL1 3763/4885NFE2L2 2725/4885ACLY 494/4885
US-20110269956-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, MAVS L3MBTL1 1838/4885NFE2L2 3273/4885ACLY 1370/4885
US-20100260708-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS L3MBTL1 3763/4885NFE2L2 2725/4885ACLY 494/4885
US-20110130433-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS L3MBTL1 2136/4885NFE2L2 1281/4885ACLY 1583/4885
US-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS L3MBTL1 2192/4885NFE2L2 1208/4885ACLY 1590/4885
US-20100303755-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS L3MBTL1 3763/4885NFE2L2 2725/4885ACLY 494/4885

“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.