SCHEMBL6384635

SCHEMBL6384635

O=C(C1=COCC1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.36
CES1 P23141 1/20 0.34
MLYCD O95822 2/20 0.31
HDAC6 Q9UBN7 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL6544638 0.79 EPHX2 (0.31) EPHX2
SCHEMBL2220163 0.79 EPHX2 (0.31) EPHX2
SCHEMBL12463565 0.73
SCHEMBL2220877 0.73
SCHEMBL15177067 0.71
SCHEMBL22789290 0.69 CES1 (0.39) CES1MLYCDHDAC6ACHE
SCHEMBL13559593 0.64
SCHEMBL21456613 0.62 ALDH1A1 (0.31) HDAC6
SCHEMBL19457973 0.56 HDAC4 (0.63) CES1MLYCDHDAC6ACHE
SCHEMBL6864335 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9227940-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
US-9227940-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
EP-2086963-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed
US-20150005342-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-01 US disclosed
US-20150005342-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-01 US disclosed
US-8889871-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-18 US disclosed
WO-2008060927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-22 WO disclosed
US-20080119461-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-7173004-B2 Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173004-B2 Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
WO-2004094452-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
EP-1250330-B1 PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS EASTMAN CHEM CO (US) 2004-01-07 EP disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
EP-1250330-A1 PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2002-10-23 EP disclosed
WO-2001055127-A1 PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2001-08-02 WO disclosed
US-6184394-B1 ALKYL 3-FUROATES FROM 4-ACYL-2,3-DIHYDROFURANS FROM 4-ACYL-2,3-DIHYDRO-FURANS BY HALOGENATING IN THE PRESENCE OF AN ALKANOL FOLLOWED BY CONTACTING WITH A STRONG BASE; DRUGS; ANTINFLAMMATORY AND -FOULING AGENTS EASTMAN CHEMICAL COMPANY 2001-02-06 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-20080119461-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL EPHX2 2019/4885CES1 34/4885MLYCD 719/4885
US-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 EPHX2 1487/4885CES1 22/4885MLYCD 1658/4885
US-20150005342-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 EPHX2 1487/4885CES1 22/4885MLYCD 1658/4885

“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.