SCHEMBL3435910

SCHEMBL3435910

COC[C@H]1COCCN1c1nc(C(=O)O)cs1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
MTOR P42345 1/20 0.36
IDH1 O75874 1/20 0.36
PTGER1 P34995 1/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
LDHA P00338 3/20 0.35
OGA O60502 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL13634351 1.00 PDK1 (0.38) PDK1PDK2PDK3IRAK4MTOR
SCHEMBL14000051 0.87 GAA (0.42) OGAKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL14000054 0.87 GAA (0.42) OGAKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL3549852 0.86 FPR2 (0.40) IRAK4MTORPTGER1PIK3CAPIK3CD
SCHEMBL30295682 0.82 ADORA2A (0.43) PTGER1LDHA
SCHEMBL29064995 0.82 ADORA2A (0.43) PTGER1LDHA
SCHEMBL3545517 0.82 PDK1 (0.39) PDK1PDK2PDK3MTORIDH1
SCHEMBL28003161 0.81 MTOR (0.41) PDK1PDK2PDK3MTORIDH1
SCHEMBL10278349 0.81 IRAK4 (0.51) IRAK4MTORPTGER1PIK3CALDHA
SCHEMBL20594891 0.81 IRAK4 (0.51) IRAK4MTORPTGER1PIK3CALDHA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 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

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 PDK1 1088/4885PDK2 1250/4885PDK3 1154/4885

“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.