SCHEMBL6115809

SCHEMBL6115809

CCOC(=O)C(CC)Oc1ccc(-c2noc(CC)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.52
ACACA Q13085 2/20 0.52
TP53 P04637 2/20 0.50
MITF O75030 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
PSMB5 P28074 1/20 0.47
LMNA P02545 3/20 0.46
ATM Q13315 1/20 0.46
MAPK1 P28482 2/20 0.46
FFAR1 O14842 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
SMPD1 P17405 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
AR P10275 1/20 0.44
MAPT P10636 4/20 0.44
KMT2A Q03164 3/20 0.43

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
SCHEMBL6112849 0.88 ACACB (0.54) ACACBACACATP53MITFNCOA3
SCHEMBL6113038 0.88 ACACB (0.54) ACACBACACATP53MITFNCOA3
SCHEMBL6112925 0.85 ACACB (0.49) ACACBLMNAFFAR1HTTAR
SCHEMBL6117024 0.82 NPC1 (0.47) LMNASMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL8795031 0.76 ACACB (0.47) ACACBTP53MITFNCOA3LMNA
SCHEMBL14539768 0.75 L3MBTL1 (0.52) TP53LMNAMAPK1SMN1; SMN2HTT
SCHEMBL14340625 0.73 PPARG (0.55) LMNAMAPK1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL27512257 0.73 AR (0.55) LMNASMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL6112818 0.72 FFAR1 (0.51) ACACBFFAR1SMN1; SMN2MAPT
SCHEMBL8795215 0.72 ACACB (0.51) ACACBTP53LMNAFFAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754112-B2 Sulfone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-06-17 US disclosed
US-8754112-B2 Sulfone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-06-17 US disclosed
US-8754112-B2 Sulfone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-06-17 US disclosed
EP-2463279-B1 4-(1,2,4-dioxazol-3-yl)benzamides for the treatment of diabetes and obesity DAIICHI SANKYO CO LTD (JP) 2014-02-12 EP disclosed
EP-2463279-B1 4-(1,2,4-dioxazol-3-yl)benzamides for the treatment of diabetes and obesity DAIICHI SANKYO CO LTD (JP) 2014-02-12 EP disclosed
EP-2468737-B1 SULFONE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-10-30 EP disclosed
US-8557802-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-10-15 US disclosed
US-8557802-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-10-15 US disclosed
US-8557802-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-10-15 US disclosed
CN-102574823-A Amide derivative DAIICHI SANKYO CO LTD 2012-07-11 CN disclosed
CN-102548977-A Sulfone derivative DAICHI SANKYO CO LTD 2012-07-04 CN disclosed
EP-2468737-A1 SULFONE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-06-27 EP disclosed
EP-2463279-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-06-13 EP disclosed
US-20120129832-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-24 US disclosed
US-20120129891-A1 SULFONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-24 US disclosed
US-20120129891-A1 SULFONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-24 US disclosed
US-20120129832-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-24 US disclosed
US-20120129832-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-24 US disclosed
WO-2011016470-A1 SULFONE DERIVATIVE 第一三共株式会社 (JP) 2011-02-10 WO disclosed
WO-2011016469-A1 AMIDE DERIVATIVE 第一三共株式会社 (JP) 2011-02-10 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-20120129832-A1 AMIDE DERIVATIVE SLC5A1, SLC5A2, SLC2A1 ACACB 76/4885ACACA 31/4885TP53 3717/4885
US-20120129891-A1 SULFONE DERIVATIVE SLC5A1, SLC5A2, SLC2A1 ACACB 2250/4885ACACA 1675/4885TP53 3331/4885

“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.