SCHEMBL3436268

SCHEMBL3436268

CC(C)OCc1nc(C(=O)O)co1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
HRH3 Q9Y5N1 3/20 0.35
P2RX3 P56373 1/20 0.35
PFKFB3 Q16875 1/20 0.35
P2RY2 P41231 1/20 0.34
CHRM3 P20309 1/20 0.34
CES1 P23141 1/20 0.33
PTPN1 P18031 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MCL1 Q07820 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
PTGER1 P34995 1/20 0.32
FBP1 P09467 1/20 0.31
FPR2 P25090 1/20 0.31

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
SCHEMBL3436247 0.84 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3ALOX5APFEN1
SCHEMBL3558466 0.81 HCAR2 (0.45) SLC6A2SLC6A4SLC6A3ALOX5APFEN1
SCHEMBL13270562 0.79 ALOX5AP (0.36) SLC6A2SLC6A4SLC6A3ALOX5APFEN1
SCHEMBL742154 0.79 ALDH1A1 (0.41) SLC6A2SLC6A4SLC6A3ALOX5APFEN1
SCHEMBL15592323 0.78 NPPA (0.38) ALOX5APFEN1HRH3P2RY2CES1
SCHEMBL25039089 0.77 ALOX5AP (0.35) SLC6A2SLC6A4SLC6A3ALOX5APFEN1
SCHEMBL1760523 0.75 HCAR2 (0.39) HRH3P2RY2CES1PTPN1HCAR2
SCHEMBL9304407 0.75 HRH3 (0.36) SLC6A2SLC6A4SLC6A3ALOX5APFEN1
SCHEMBL9304397 0.75 HRH3 (0.36) SLC6A2SLC6A4SLC6A3ALOX5APFEN1
SCHEMBL15301432 0.75 P2RY2 (0.35) SLC6A2SLC6A4SLC6A3ALOX5APFEN1

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
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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 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 (2 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 SLC6A2 1855/4885SLC6A4 1898/4885SLC6A3 1196/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 SLC6A2 2876/4885SLC6A4 2509/4885SLC6A3 2292/4885

“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.