SCHEMBL15423563

SCHEMBL15423563

CC1CC1(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM6 O15303 2/20 0.31
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
EPHX2 P34913 1/20 0.30
BTK Q06187 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL15423567 0.90 MAPK1 (0.37) MAPK1MEN1KMT2ACYP4F2CYP4A11
SCHEMBL19447707 0.84 MAPK1 (0.34) MAPK1MEN1KMT2ACYP4F2CYP4A11
SCHEMBL871764 0.82 KDM1A (0.34) MAPK1MEN1KMT2AGRM6GRM2
SCHEMBL19585884 0.81 BTK (0.35) MAPK1MEN1KMT2AGRM6BTK
SCHEMBL7567670 0.80 BTK (0.37) MAPK1MEN1KMT2AGRM6GRM2
SCHEMBL11757280 0.79 APLNR (0.31) GRM6GRM2GRM3
SCHEMBL23493826 0.78 MEN1 (0.33) MAPK1MEN1KMT2AEPHX2BTK
SCHEMBL375134 0.78 CYP4F2 (0.31) CYP4F2CYP4A11
SCHEMBL1635539 0.78 CYP4F2 (0.31) CYP4F2CYP4A11
SCHEMBL3643307 0.78 CYP4F2 (0.31) CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 US disclosed
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 US disclosed
US-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
US-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
EP-3159345-A1 INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2017-04-26 EP disclosed
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2016-12-15 US disclosed
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2016-12-15 US disclosed
EP-2870160-B1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES INC (US) 2016-09-28 EP disclosed
US-9296782-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-9296782-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2015-06-25 US disclosed
US-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2015-06-25 US disclosed
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2014-01-16 US disclosed
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2014-01-16 US disclosed
WO-2014008285-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2014-01-09 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 (4 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-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 MAPK1 3693/4885MEN1 3724/4885KMT2A 4659/4885
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 MAPK1 3681/4885MEN1 3419/4885KMT2A 4606/4885
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 MAPK1 3681/4885MEN1 3419/4885KMT2A 4606/4885
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 MAPK1 3681/4885MEN1 3419/4885KMT2A 4606/4885

“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.