SCHEMBL15867799

SCHEMBL15867799

CC(C)(C)OC(=O)C1(O)CCC2(CC1)OCCO2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL10004931 0.84 MAPK1 (0.35) USP2SMN1; SMN2CYP4F2CYP4A11KMT2A
SCHEMBL1700334 0.84 USP2 (0.33) USP2SMN1; SMN2CYP4F2CYP4A11POLB
SCHEMBL15897368 0.83 USP2 (0.31) USP2SMN1; SMN2CYP4F2CYP4A11POLB
SCHEMBL15722043 0.81 USP2 (0.32) USP2SMN1; SMN2CYP4F2CYP4A11POLB
SCHEMBL22098152 0.79 USP2 (0.43) USP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL15867787 0.77 DGAT1 (0.33) USP2SMN1; SMN2POLBKMT2A
SCHEMBL26410070 0.77 MAPK1 (0.32) CYP4F2CYP4A11
SCHEMBL20772092 0.77 CYP4F2 (0.33) USP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL26409859 0.76 TSHR (0.31) CYP4F2CYP4A11
SCHEMBL24580648 0.75 ALDH1A1 (0.42) SMN1; SMN2POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107219-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-04-20 US disclosed
US-9567330-B2 Azabenzimidazole derivative having AMPK-activating activity SHIONOGI & CO., LTD. (JP) 2017-02-14 US disclosed
US-9567330-B2 Azabenzimidazole derivative having AMPK-activating activity SHIONOGI & CO., LTD. (JP) 2017-02-14 US disclosed
US-20140194420-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-07-10 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 (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-20170107219-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAB1, PRKAB2, PRKAG1 USP2 3865/4885SMN1; SMN2 4254/4885CYP4F2 2660/4885
US-20140194420-A1 AZABENZIMIDAZOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAB1, PRKAB2, PRKAG1 USP2 3865/4885SMN1; SMN2 4254/4885CYP4F2 2660/4885

“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.