SCHEMBL13162913

SCHEMBL13162913

Cc1ccc(OCCCNC(=O)OC(C)(C)C)cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.58
CA1 P00915 5/20 0.58
CA2 P00918 5/20 0.58
CA9 Q16790 5/20 0.58
PDK2 Q15119 1/20 0.49
EGFR P00533 2/20 0.47
ITK Q08881 2/20 0.47
SUCNR1 Q9BXA5 3/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
BRD4 O60885 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
CYP1A1 P04798 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP3A43 Q9HB55 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL30343966 0.96 CA12 (0.57) CA12CA1CA2CA9PDK2
SCHEMBL25155264 0.96 CA12 (0.57) CA12CA1CA2CA9PDK2
SCHEMBL13162402 0.89 CA12 (0.57) CA12CA1CA2CA9PDK2
SCHEMBL19475821 0.88 CA12 (0.60) CA12CA1CA2CA9PDK2
SCHEMBL13162350 0.88 CA12 (0.56) CA12CA1CA2CA9PDK2
SCHEMBL16504682 0.87 CA12 (0.58) CA12CA1CA2CA9PDK2
SCHEMBL20919690 0.86 CA12 (0.61) CA12CA1CA2CA9PDK2
SCHEMBL30344719 0.85 CA12 (0.56) CA12CA1CA2CA9PDK2
SCHEMBL25155339 0.85 CA12 (0.56) CA12CA1CA2CA9PDK2
SCHEMBL7399614 0.84 CA12 (0.55) CA12CA1CA2CA9PDK2

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 3 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 CA12 2486/4885CA1 2675/4885CA2 493/4885

“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.