SCHEMBL741114

SCHEMBL741114

CC(C)(C)OC(=O)[C@]1(C)CN(CCc2ccccc2)C(=O)C1CCOS(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRM1 P35372 1/20 0.35
KCNH2 Q12809 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PLA2G10 O15496 1/20 0.34
PLA2G5 P39877 1/20 0.34
STS P08842 1/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ELANE P08246 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL2761683 0.89 SMN1; SMN2 (0.39) L3MBTL1SMN1; SMN2OPRM1KCNH2SIGMAR1
SCHEMBL3976127 0.86 POLB (0.38) L3MBTL1SMN1; SMN2OPRM1KCNH2SIGMAR1
SCHEMBL741073 0.86 L3MBTL1 (0.42) L3MBTL1SMN1; SMN2OPRM1KCNH2SIGMAR1
SCHEMBL2243926 0.80 KMT2A (0.35) NR1H2NR1H3KMT2AELANE
SCHEMBL10306152 0.75 GAA (0.39) L3MBTL1SMN1; SMN2NR1H2NR1H3POLB
SCHEMBL740949 0.72 SMN1; SMN2 (0.41) L3MBTL1SMN1; SMN2OPRM1KCNH2SIGMAR1
SCHEMBL2762344 0.72 SIGMAR1 (0.43) L3MBTL1SMN1; SMN2OPRM1KCNH2SIGMAR1
SCHEMBL2762030 0.71 SIGMAR1 (0.42) L3MBTL1SMN1; SMN2OPRM1KCNH2SIGMAR1
SCHEMBL741181 0.69 POLB (0.40) L3MBTL1SMN1; SMN2SIGMAR1PLA2G10PLA2G5
SCHEMBL2761682 0.67 KMT2A (0.37) SMN1; SMN2KMT2A

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-8138352-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-20 US disclosed
US-20110144339-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-06-16 US disclosed
US-7928232-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-19 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-20110144339-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, NQO2, COASY L3MBTL1 4479/4885SMN1; SMN2 4443/4885OPRM1 3183/4885

“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.