SCHEMBL871189

SCHEMBL871189

CC(=O)C1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
SMYD2 Q9NRG4 2/20 0.33
MT-CO2 P00403 1/20 0.31
ALOX5 P09917 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ABL1 P00519 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 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
SCHEMBL25520994 1.00 BACE1 (0.36) BACE1SMYD2MT-CO2ALOX5CYP3A4
SCHEMBL21222073 0.90 BACE1 (0.36) BACE1SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL22614223 0.90 BACE1 (0.36) BACE1SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL21222072 0.90 BACE1 (0.36) BACE1SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL5831941 0.88 BACE1 (0.36) BACE1SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL5831935 0.88 BACE1 (0.36) BACE1SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL31414305 0.88 BACE1 (0.36) BACE1SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL29474755 0.87 BACE1 (0.35) BACE1HTTSMN1; SMN2KMT2A
SCHEMBL15448532 0.87 BACE1 (0.39) BACE1SMYD2HTTMEN1KMT2A
SCHEMBL23549599 0.86 BACE1 (0.35) BACE1SMYD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 US disclosed
US-20130225556-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2013-08-29 US disclosed
US-8420629-B2 Azetidine and cyclobutane derivatives as JAK inhibitors INCYTE CORPORATION (US) 2013-04-16 US disclosed
US-8158616-B2 Azetidine and cyclobutane derivatives as JAK inhibitors INCYTE CORPORATION (US) 2012-04-17 US disclosed
US-20120077798-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-03-29 US disclosed
EP-2288610-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS Incyte Corporation (US) 2011-03-02 EP disclosed
WO-2009114512-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 WO disclosed
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 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 (5 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-20130225556-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 BACE1 3299/4885SMYD2 1759/4885MT-CO2 3769/4885
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL BACE1 2398/4885SMYD2 3852/4885MT-CO2 1579/4885
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 BACE1 3299/4885SMYD2 1759/4885MT-CO2 3769/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 BACE1 769/4885SMYD2 4324/4885MT-CO2 1481/4885
US-20120077798-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 BACE1 3299/4885SMYD2 1759/4885MT-CO2 3769/4885

“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.