SCHEMBL8795679

SCHEMBL8795679

CCOC(=O)C(CC)Oc1ccc(C#N)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
GAA P10253 1/20 0.39
HTT P42858 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CHEK1 O14757 1/20 0.37
ALDH1A1 P00352 3/20 0.36
ACACB O00763 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL10066804 0.88 AR (0.44) ARSMN1; SMN2KMT2AMEN1GAA
SCHEMBL6112971 0.86 SMN1; SMN2 (0.52) ARSMN1; SMN2ALDH1A1ACACB
SCHEMBL12877698 0.81 AR (0.47) ARSMN1; SMN2KMT2AMEN1TDP1
SCHEMBL6112764 0.80 AR (0.49) ARSMN1; SMN2KMT2AGAATDP1
SCHEMBL14659055 0.75 KMT2A (0.41) ARSMN1; SMN2KMT2AMEN1GAA
SCHEMBL14437655 0.75 AR (0.47) ARSMN1; SMN2TSHR
SCHEMBL27512257 0.75 AR (0.55) ARSMN1; SMN2KMT2AMEN1TDP1
SCHEMBL8795382 0.74 AR (0.42) ARSMN1; SMN2KMT2AMEN1GAA
SCHEMBL15787042 0.74 AR (0.42) ARSMN1; SMN2KMT2AMEN1GAA
SCHEMBL15787043 0.74 AR (0.42) ARSMN1; SMN2KMT2AMEN1GAA

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-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
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

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-20120129891-A1 SULFONE DERIVATIVE SLC5A1, SLC5A2, SLC2A1 AR 3625/4885SMN1; SMN2 286/4885KMT2A 2305/4885

“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.