SCHEMBL375254

SCHEMBL375254

CCC1CC1(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MAPK1 P28482 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NR1H2 P55055 1/20 0.30
EPHX2 P34913 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
SCHEMBL3292857 0.92
SCHEMBL20348813 0.91 CYP4F2 (0.33) CYP4F2CYP4A11
SCHEMBL3643307 0.91 CYP4F2 (0.31) CYP4F2CYP4A11
SCHEMBL375134 0.91 CYP4F2 (0.31) CYP4F2CYP4A11
SCHEMBL1635539 0.91 CYP4F2 (0.31) CYP4F2CYP4A11
SCHEMBL20355121 0.86 ALDH1A1 (0.36) EPHX2
SCHEMBL16065462 0.84 MEN1 (0.31) MAPK1MEN1KMT2A
SCHEMBL12033287 0.79 NR1H2 (0.33) MAPK1MEN1KMT2ANR1H2EPHX2
SCHEMBL13330148 0.79 NR1H2 (0.33) MAPK1MEN1KMT2ANR1H2EPHX2
SCHEMBL13123340 0.79 NR1H2 (0.33) MAPK1MEN1KMT2ANR1H2EPHX2

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 79 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-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
EP-2049474-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-11-04 EP disclosed
EP-2086963-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed
EP-2300490-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-03-04 EP disclosed
US-20150005342-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-01 US disclosed
EP-1684745-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-12-17 EP disclosed
US-8889871-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-18 US disclosed
US-20140163231-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-06-12 US disclosed
EP-1505963-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
US-20040106559-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 US disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
WO-2004032827-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO disclosed
US-20040072761-A1 Heterocyclicsulfonamide hepatitis C virus inhibitors CAMPBELL JEFFREY ALLEN (US) 2004-04-15 US disclosed
US-20040048802-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-11 US disclosed
WO-2003099316-A1 HETEROCYCLICSULFONAMIDE HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
US-20020111313-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-08-15 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 (8 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-20040072761-A1 Heterocyclicsulfonamide hepatitis C virus inhibitors HCCS, ANPEP, DNPEP CYP4F2 2912/4885CYP4A11 1549/4885MAPK1 3138/4885
US-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CYP4F2 290/4885CYP4A11 324/4885MAPK1 2557/4885
US-20150005342-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CYP4F2 290/4885CYP4A11 324/4885MAPK1 2557/4885
US-20040106559-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, RNASE1 CYP4F2 386/4885CYP4A11 429/4885MAPK1 1573/4885
US-20020111313-A1 Hepatitis C virus inhibitors HAVCR2, ZC3HAV1, VIP CYP4F2 2888/4885CYP4A11 1453/4885MAPK1 3677/4885
US-20140163231-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CYP4F2 290/4885CYP4A11 324/4885MAPK1 2557/4885
US-20040048802-A1 Hepatitis C virus inhibitors HAVCR2, ZC3HAV1, VIP CYP4F2 2888/4885CYP4A11 1453/4885MAPK1 3677/4885
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors HAVCR2, ANPEP, ENPEP CYP4F2 3199/4885CYP4A11 1166/4885MAPK1 3703/4885

“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.