SCHEMBL10270072

SCHEMBL10270072

CC(C)(C)OC(=O)N[C@H]1C[C@@](O)(CO)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.45
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.43
CTSK P43235 2/20 0.42
HSD11B1 P28845 2/20 0.42
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HCRTR2 O43614 1/20 0.38
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL10216172 1.00 BTK (0.45) BTKEPHX1EPHX2CTSKHSD11B1
SCHEMBL21162036 1.00 BTK (0.45) BTKEPHX1EPHX2CTSKHSD11B1
SCHEMBL28545540 0.87 BTK (0.45) BTKEPHX1EPHX2CTSKHSD11B1
SCHEMBL25572590 0.85 BTK (0.44) BTKEPHX1EPHX2CTSKHSD11B1
SCHEMBL25572588 0.85 BTK (0.44) BTKEPHX1EPHX2CTSKHSD11B1
SCHEMBL25572589 0.85 BTK (0.44) BTKEPHX1EPHX2CTSKHSD11B1
SCHEMBL10269810 0.85 BTK (0.44) BTKEPHX1EPHX2CTSKHSD11B1
SCHEMBL10270192 0.85 BTK (0.44) BTKEPHX1EPHX2CTSKHSD11B1
SCHEMBL8234457 0.85 GAA (0.45) BTKEPHX1EPHX2CTSKHSD11B1
SCHEMBL25369381 0.85 BTK (0.46) BTKEPHX1EPHX2CTSKHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872502-B1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2016-08-24 EP disclosed
US-20160200741-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2016-07-14 US disclosed
US-20160200741-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2016-07-14 US disclosed
US-9206191-B2 Indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2015-12-08 US disclosed
US-9206191-B2 Indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2015-12-08 US disclosed
US-20150158879-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2015-06-11 US disclosed
US-20150158879-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2015-06-11 US disclosed
WO-2014009302-A1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2014-01-16 WO disclosed
US-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2012-03-01 US disclosed
WO-2011156610-A2 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2011-12-15 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 (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-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, FABP1, EIF2AK2 BTK 2673/4885EPHX1 2602/4885EPHX2 3281/4885
US-20150158879-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection ADORA3, ADORA1, BRS3 BTK 3511/4885EPHX1 1942/4885EPHX2 3119/4885
US-20160200741-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection ADORA3, ADORA1, BRS3 BTK 3511/4885EPHX1 1942/4885EPHX2 3119/4885

“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.