SCHEMBL2077913

SCHEMBL2077913

COC(=O)CNC(=O)[C@H](N)CO

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.45
RECQL P46063 1/20 0.44
BIRC2 Q13490 1/20 0.40
FUCA1 P04066 1/20 0.37
TSHR P16473 4/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 2/20 0.36
SLC1A1 P43005 1/20 0.36
KDM4E B2RXH2 1/20 0.36
EPHX2 P34913 1/20 0.36
TLR2 O60603 1/20 0.35
DPP7 Q9UHL4 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL31276860 1.00 TET2 (0.45) TET2RECQLBIRC2FUCA1TSHR
SCHEMBL11302655 0.93 RECQL (0.47) TET2RECQLBIRC2FUCA1TSHR
SCHEMBL3274173 0.84 TET2 (0.45) TET2RECQLBIRC2TSHRHSD17B10
SCHEMBL14031407 0.84 TET2 (0.45) TET2RECQLBIRC2TSHRHSD17B10
SCHEMBL3274175 0.84 TET2 (0.45) TET2RECQLBIRC2TSHRHSD17B10
SCHEMBL9780221 0.82 TET2 (0.44) TET2RECQLBIRC2TSHRHSD17B10
SCHEMBL9780217 0.82 TET2 (0.44) TET2RECQLBIRC2TSHRHSD17B10
SCHEMBL23085255 0.81 SLC1A1 (0.49) TET2RECQLBIRC2TSHRHSD17B10
SCHEMBL27182747 0.81 TET2 (0.42) TET2RECQLBIRC2TSHRHSD17B10
SCHEMBL10954441 0.81 SLC7A5 (0.45) TET2RECQLBIRC2TSHRHSD17B10

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 8 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
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 TET2 4141/4885RECQL 4487/4885BIRC2 2054/4885

“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.