SCHEMBL10177490

SCHEMBL10177490

COC(=O)C(C)(C)COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.64
AAK1 Q2M2I8 4/20 0.48
SSTR4 P31391 1/20 0.39
ALPL P05186 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
PDGFRB P09619 2/20 0.36
KDR P35968 2/20 0.36
FFAR1 O14842 1/20 0.34
ROCK1 Q13464 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL26464702 0.82 AAK1 (0.55) DGAT1AAK1SSTR4ALPLGSK3A
SCHEMBL10176623 0.82 DGAT1 (0.64) DGAT1AAK1ROCK1HIF1A
SCHEMBL14882070 0.81 DGAT1 (0.72) DGAT1AAK1ALPLGSK3AGSK3B
SCHEMBL20191051 0.81 AAK1 (0.53) DGAT1AAK1ALPLGSK3AGSK3B
SCHEMBL26464168 0.79 AAK1 (0.51) DGAT1AAK1ALPLGSK3AGSK3B
SCHEMBL374788 0.78 DGAT1 (1.00) DGAT1AAK1GSK3AGSK3BPDGFRB
SCHEMBL26013257 0.78 AAK1 (0.50) DGAT1AAK1ALPLGSK3AGSK3B
SCHEMBL6934738 0.77 AAK1 (0.50) DGAT1AAK1ALPLGSK3AGSK3B
SCHEMBL251502 0.76 ALPL (0.45) DGAT1AAK1ALPLGSK3AGSK3B
SCHEMBL9936389 0.76 SSTR4 (0.45) DGAT1AAK1SSTR4

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-9975871-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-22 US disclosed
US-9975871-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-22 US disclosed
US-20160272614-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-09-22 US disclosed
US-20160272614-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-09-22 US disclosed
US-9302996-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-04-05 US disclosed
US-9302996-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-04-05 US disclosed
US-20130261128-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-03 US disclosed
US-20130261128-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-03 US disclosed
WO-2012081736-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-21 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 (2 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-20130261128-A1 CONTINUOUS ARYCYCLIC COMPOUND DGAT1, DGAT2, SOAT1 DGAT1 1/4885AAK1 1147/4885SSTR4 3282/4885
US-20160272614-A1 CONTINUOUS ARYCYCLIC COMPOUND DGAT1, DGAT2, SOAT1 DGAT1 1/4885AAK1 1147/4885SSTR4 3282/4885

“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.