SCHEMBL3435744

SCHEMBL3435744

CCC(=O)Oc1csc(N(C)C2CCOC2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.35
ELOVL1 Q9BW60 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ACACB O00763 1/20 0.33
PDE4B Q07343 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
TYR P14679 1/20 0.31
HSD11B1 P28845 1/20 0.31
MCHR1 Q99705 1/20 0.31

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
SCHEMBL3436060 0.83 EED (0.31) UCHL1
SCHEMBL13999818 0.77 RAB9A (0.45) NPC1RAB9AMEN1KMT2APDE4B
SCHEMBL3554233 0.76 UCHL1 (0.36) UCHL1ITGB3ITGA2BNPC1RAB9A
SCHEMBL13634218 0.75 ALDH1A1 (0.36) UCHL1ELOVL1NPC1RAB9AMEN1
SCHEMBL3550038 0.73 ALDH1A1 (0.39) UCHL1ELOVL1NPC1RAB9AMEN1
SCHEMBL3435736 0.73 FAAH (0.33) UCHL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3435734 0.71 PI4KB (0.34) ITGB3ITGA2BNPC1RAB9AMEN1
SCHEMBL13162307 0.68 UCHL1 (0.36) UCHL1ELOVL1NPC1RAB9AMEN1
SCHEMBL3436229 0.68 MEN1 (0.36) MEN1KMT2A
SCHEMBL27336449 0.67 ALDH1A1 (0.47) NPC1RAB9AMEN1KMT2AALDH1A1

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 UCHL1 1509/4885ELOVL1 3844/4885ITGB3 763/4885

“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.