SCHEMBL2079997

SCHEMBL2079997

COC(=O)[C@H](CO)NC(=O)c1ccnnc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 13/20 0.44
TAS1R1 Q7RTX1 13/20 0.44
CYP26A1 O43174 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ACACB O00763 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
LNPEP Q9UIQ6 2/20 0.39
ERAP1 Q9NZ08 1/20 0.39

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
SCHEMBL29788361 0.84 CYP26A1 (0.49) TAS1R3TAS1R1CYP26A1L3MBTL1GAA
SCHEMBL22322536 0.81 HCAR2 (0.44) TAS1R3TAS1R1HCAR2L3MBTL1ACACB
SCHEMBL3436035 0.78 GRN (0.50) TAS1R3TAS1R1GAARAB9A
SCHEMBL12800602 0.78 TAS1R3 (0.47) TAS1R3TAS1R1LNPEP
SCHEMBL3436067 0.78 CTSL (0.45) TAS1R3TAS1R1CYP26A1L3MBTL1ACACB
SCHEMBL5672076 0.77 GAA (0.56) TAS1R3TAS1R1CYP26A1L3MBTL1GAA
SCHEMBL10024019 0.77 GAA (0.56) TAS1R3TAS1R1CYP26A1L3MBTL1GAA
SCHEMBL3436214 0.77 TAS1R3 (0.47) TAS1R3TAS1R1LNPEP
SCHEMBL13885653 0.76 LNPEP (0.56) TAS1R3TAS1R1L3MBTL1GAARAB9A
SCHEMBL12983609 0.76 TAS1R3 (0.52) TAS1R3TAS1R1L3MBTL1GAARAB9A

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 7 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-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
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 TAS1R3 230/4885TAS1R1 322/4885CYP26A1 2521/4885

“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.