SCHEMBL3586429

SCHEMBL3586429

CC(C)(OC(=O)NCC[CH]COCc1ccccc1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
PPARA Q07869 2/20 0.40
IDO1 P14902 1/20 0.39
CTSS P25774 1/20 0.38
SYK P43405 1/20 0.38
HTT P42858 2/20 0.37
TGM2 P21980 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A1 P43005 1/20 0.34
PPARG P37231 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL3594233 0.94 HTT (0.41) SMN1; SMN2LMNAPPARAIDO1CTSS
SCHEMBL3580905 0.92 TGM2 (0.41) SMN1; SMN2LMNAPPARAIDO1CTSS
SCHEMBL3585846 0.83 POLB (0.41) SMN1; SMN2LMNAPPARAIDO1MAPT
SCHEMBL3584000 0.78 CYP2C9 (0.42) SMN1; SMN2LMNAIDO1ALDH1A1L3MBTL1
SCHEMBL27928158 0.76 RIPK1 (0.50) SMN1; SMN2LMNAALDH1A1L3MBTL1MAPT
SCHEMBL506649 0.71 IDO1 (0.62) SMN1; SMN2LMNAPPARAIDO1CTSS
SCHEMBL3575650 0.70 KLK7 (0.40) SMN1; SMN2
SCHEMBL4088849 0.69 TSHR (0.48) LMNAIDO1HTTALDH1A1L3MBTL1
SCHEMBL13622021 0.69 IDO1 (0.56) SMN1; SMN2LMNAPPARAIDO1CTSS
SCHEMBL3590061 0.68 SCN9A (0.38) SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 Wurster, Siegfried (FI) 2010-02-25 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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 SSTR1, SSTR4, SSTR3 SMN1; SMN2 2171/4885LMNA 4415/4885PPARA 2254/4885

“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.