SCHEMBL8170959

SCHEMBL8170959

CC(C)(C)C1CC(C(N)=O)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.32
EPHX1 P07099 1/20 0.31
MAPT P10636 3/20 0.31
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
HSD11B1 P28845 3/20 0.31
GLA P06280 1/20 0.31
GRM2 Q14416 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL14539758 1.00 SMN1; SMN2 (0.34) SMN1; SMN2GAAEPHX1MAPTKDM4E
SCHEMBL10788281 0.84 GLA (0.39) SMN1; SMN2EPHX1MAPTKDM4EKMT2A
SCHEMBL30244682 0.83 SMN1; SMN2 (0.33) SMN1; SMN2GAAMAPTKDM4EKMT2A
SCHEMBL25449383 0.81 MAPT (0.38) SMN1; SMN2EPHX1MAPTKDM4EKMT2A
SCHEMBL608383 0.78 GLA (0.44) SMN1; SMN2GAAEPHX1MAPTATM
SCHEMBL10269251 0.78 GLA (0.44) SMN1; SMN2GAAEPHX1MAPTATM
SCHEMBL23559379 0.78 GLA (0.44) SMN1; SMN2GAAEPHX1MAPTATM
SCHEMBL12883188 0.77 EPHX1 (0.32) EPHX1HSD11B1GLARAB9A
SCHEMBL12424332 0.77 APLNR (0.39) EPHX1KMT2ACYP2D6LMNAALOX15
SCHEMBL12384655 0.77 APLNR (0.39) EPHX1KMT2ACYP2D6LMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170101398-A1 PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES Grünenthal GmbH (DE) 2017-04-13 US disclosed
US-20170101398-A1 PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES Grünenthal GmbH (DE) 2017-04-13 US disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 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-20170101398-A1 PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES TRPV1, CACNA1G, CACNA1B SMN1; SMN2 1014/4885GAA 3344/4885EPHX1 2281/4885

“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.