SCHEMBL3436202

SCHEMBL3436202

CCOC(=O)c1csc(C2CCOC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.55
CASP7 P55210 1/20 0.55
CASP8 Q14790 1/20 0.55
RAB9A P51151 9/20 0.49
NPC1 O15118 8/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 2/20 0.44
GAA P10253 2/20 0.43
CLK1 P49759 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HSP90AA1 P07900 2/20 0.42
FNTA P49354 2/20 0.40

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
SCHEMBL2077891 0.92 CASP3 (0.54) CASP3CASP7CASP8RAB9ANPC1
SCHEMBL27107999 0.87 SMN1; SMN2 (0.54) CASP3CASP7CASP8RAB9ANPC1
SCHEMBL29987610 0.86 CASP3 (0.39) CASP3CASP7CASP8MAPTMEN1
SCHEMBL2142237 0.85 RAB9A (0.57) CASP3CASP7CASP8RAB9ANPC1
SCHEMBL2142696 0.83 SMN1; SMN2 (0.56) CASP3CASP7CASP8RAB9ANPC1
SCHEMBL1245930 0.83 SMN1; SMN2 (0.60) CASP3CASP7CASP8RAB9ANPC1
SCHEMBL28507736 0.82 RAB9A (0.51) CASP3CASP7CASP8RAB9ANPC1
SCHEMBL996638 0.82 SMN1; SMN2 (0.62) CASP3CASP7CASP8RAB9ANPC1
SCHEMBL17885697 0.81 RAB9A (0.52) CASP3CASP7CASP8RAB9ANPC1
SCHEMBL3435708 0.81 RAB9A (0.52) CASP3CASP7CASP8RAB9ANPC1

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-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
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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 CASP3 2695/4885CASP7 3162/4885CASP8 1889/4885

“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.