SCHEMBL3435196

SCHEMBL3435196

CCOC(=O)c1csc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2COC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
GAA P10253 1/20 0.41
USP30 Q70CQ3 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
ABCB1 P08183 1/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
HSP90AA1 P07900 1/20 0.37
EED O75530 1/20 0.36
RBBP4 Q09028 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
AEBP2 Q6ZN18 1/20 0.36
OGA O60502 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL3435841 0.89 USP30 (0.44) USP30HRH3
SCHEMBL1118133 0.80 LMNA (0.52) NR1H2NR1H3GAASMN1; SMN2ABCB1
SCHEMBL14000054 0.77 GAA (0.42) GAASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL5233223 0.77 LMNA (0.48) NR1H2NR1H3GAASMN1; SMN2ABCB1
SCHEMBL14000051 0.77 GAA (0.42) GAASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL15888628 0.76 GAA (0.43) GAASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL18764600 0.75 NR1H2 (0.50) NR1H2NR1H3GAASMN1; SMN2ABCB1
SCHEMBL347902 0.74 HRH3 (0.44) NR1H2NR1H3SMN1; SMN2ABCB1NPC1
SCHEMBL12003104 0.74 NR1H2 (0.49) NR1H2NR1H3GAASMN1; SMN2ABCB1
SCHEMBL18764918 0.74 NR1H2 (0.51) NR1H2NR1H3GAASMN1; SMN2ABCB1

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 4 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-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
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 NR1H2 1846/4885NR1H3 2082/4885GAA 3904/4885

“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.