SCHEMBL3436067

SCHEMBL3436067

COC(=O)[C@H](CO)NC(=O)c1cncnc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.45
TAS1R3 Q7RTX0 10/20 0.44
TAS1R1 Q7RTX1 10/20 0.44
CYP26A1 O43174 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ACACB O00763 1/20 0.40
NLRP3 Q96P20 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 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 0.81 CYP26A1 (0.49) TAS1R3TAS1R1CYP26A1L3MBTL1KDM4E
SCHEMBL2079997 0.78 TAS1R3 (0.44) TAS1R3TAS1R1CYP26A1L3MBTL1ACACB
SCHEMBL10024019 0.78 GAA (0.56) CTSLTAS1R3TAS1R1CYP26A1L3MBTL1
SCHEMBL5672076 0.78 GAA (0.56) CTSLTAS1R3TAS1R1CYP26A1L3MBTL1
SCHEMBL8054835 0.77 KMT2A (0.47) TAS1R3TAS1R1CYP26A1ALDH1A1GAA
SCHEMBL8054837 0.77 KMT2A (0.47) TAS1R3TAS1R1CYP26A1ALDH1A1GAA
SCHEMBL13885653 0.76 LNPEP (0.56) TAS1R3TAS1R1L3MBTL1GAARAB9A
SCHEMBL12983607 0.76 TAS1R3 (0.52) TAS1R3TAS1R1L3MBTL1ALDH1A1HPGD
SCHEMBL12983609 0.76 TAS1R3 (0.52) TAS1R3TAS1R1L3MBTL1ALDH1A1HPGD
SCHEMBL15646784 0.76 XDH (0.51) CTSLACACBKDM4EALDH1A1HPGD

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 CTSL 3649/4885TAS1R3 230/4885TAS1R1 322/4885

“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.