SCHEMBL17548469

SCHEMBL17548469

CC1(C)OB(c2ccc(-c3coc(N)n3)cc2)OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.51
LPL P06858 12/20 0.51
LTA4H P09960 1/20 0.46
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
F11 P03951 1/20 0.39
SNCA P37840 1/20 0.39
DGAT1 O75907 1/20 0.39
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36

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
SCHEMBL22408166 0.83 ENPP3 (0.56) LIPGLPLSNCADGAT1ENPP3
SCHEMBL28388266 0.79 LPL (0.47) LIPGLPLF11SNCADGAT1
SCHEMBL29334171 0.79 LTA4H (0.41) LIPGLPLLTA4H
SCHEMBL30855093 0.79 LTA4H (0.41) LIPGLPLLTA4H
SCHEMBL28887762 0.77 LIPG (0.54) LIPGLPLDGAT1
SCHEMBL5899680 0.76 LPL (0.51) LIPGLPLLTA4H
SCHEMBL1458765 0.75 HSP90AA1 (0.50) LIPGLPLCA1CA2CA9
SCHEMBL24608995 0.74 LIPG (0.83) LIPGLPLCA1CA2CA9
SCHEMBL2707320 0.74 LIPG (0.83) LIPGLPLCA1CA2CA9
SCHEMBL23018805 0.74 LIPG (0.59) LIPGLPLCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9980948-B2 Azaindole derivative having AMPK-activating activity SHIONOGI & CO., LTD. (JP) 2018-05-29 US disclosed
US-9980948-B2 Azaindole derivative having AMPK-activating activity SHIONOGI & CO., LTD. (JP) 2018-05-29 US disclosed
US-20170273955-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-09-28 US disclosed
US-20170273955-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-09-28 US disclosed
WO-2016031842-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING EFFECT 塩野義製薬株式会社 2016-03-03 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 (1 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-20170273955-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAA1, PRKAA2, PRKAG1 LIPG 2512/4885LPL 1385/4885LTA4H 3505/4885

“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.