SCHEMBL3436231

SCHEMBL3436231

COC(=O)c1coc([C@H]2CCCN2C(=O)OC(C)(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
TSHR P16473 7/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 6/20 0.44
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TP53 P04637 2/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.41
UCHL1 P09936 1/20 0.41
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL13209888 1.00 ALDH1A1 (0.49) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL2080461 0.86 OPRK1 (0.37) MAPTTP53
SCHEMBL3436180 0.86 MALT1 (0.38) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL1273186 0.86 ALDH1A1 (0.37) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL17069035 0.83 ALDH1A1 (0.53) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL18815556 0.82 ALDH1A1 (0.52) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL18815555 0.82 ALDH1A1 (0.52) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL2579312 0.81 GPR119 (0.46) ALDH1A1MAPTTP53HTTGAA
SCHEMBL475407 0.80 AADAT (0.51) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL475406 0.80 AADAT (0.51) ALDH1A1TSHRKMT2AMEN1L3MBTL1

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 ALDH1A1 975/4885TSHR 867/4885KMT2A 1707/4885

“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.