SCHEMBL13649162

SCHEMBL13649162

O=C(NCC[C@H](O)c1cccs1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SLC1A3 P43003 1/20 0.52
SLC1A1 P43005 1/20 0.52
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
KAT2B Q92831 1/20 0.46
TGM2 P21980 1/20 0.46
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
POLB P06746 1/20 0.45
FOLH1 Q04609 2/20 0.45
MAPT P10636 1/20 0.44
DPP8 Q6V1X1 1/20 0.43
DPP7 Q9UHL4 1/20 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
SCHEMBL13655772 1.00 LMNA (0.53) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL1946731 0.83 L3MBTL1 (0.41) L3MBTL1KEAP1
SCHEMBL7752769 0.82 LMNA (0.67) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL5286958 0.80 RAB9A (0.44) LMNASMN1; SMN2KEAP1POLB
SCHEMBL18667866 0.78 LMNA (0.60) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL18667208 0.78 LMNA (0.60) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL334927 0.77 SLC1A3 (0.64) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL735799 0.77 SLC1A3 (0.64) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL334926 0.77 SLC1A3 (0.64) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL966270 0.77 LMNA (0.63) LMNASMN1; SMN2SLC1A3SLC1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247771-A1 PROCESS FOR OBTAINING ENANTIOMERS OF DULOXETINE PRECURSORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-10-01 US disclosed
WO-2007098923-A1 PROCESS FOR OBTAINING ENANTIOMERS OF DULOXETINE PRECURSORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-07 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-20090247771-A1 PROCESS FOR OBTAINING ENANTIOMERS OF DULOXETINE PRECURSORS HTR4, OPRM1, SLC6A4 LMNA 4592/4885SMN1; SMN2 2245/4885SLC1A3 660/4885

“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.