SCHEMBL7991793

SCHEMBL7991793

COc1ccc(OC(C)(C)C(=O)NN)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
HSD11B1 P28845 1/20 0.48
HSD11B2 P80365 1/20 0.48
ALDH1A1 P00352 4/20 0.47
PPARA Q07869 3/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PARP1 P09874 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
PARP4 Q9UKK3 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
PPARD Q03181 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 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
SCHEMBL7987569 0.86 ALDH1A1 (0.47) HSD11B1HSD11B2ALDH1A1PPARAMAPT
SCHEMBL1417538 0.84 ALDH1A1 (0.49) HSD11B1HSD11B2ALDH1A1PPARAMAPT
SCHEMBL7983811 0.84 EPHX2 (0.50) ALDH1A1PPARAMAPTCYP1A2CYP3A4
SCHEMBL1417865 0.84 PPARA (0.65) HSD11B1HSD11B2ALDH1A1PPARAMAPT
SCHEMBL12670847 0.83 LMNA (0.47) ALDH1A1PPARAMAPTHTTPARP1
SCHEMBL1417819 0.81 ALDH1A1 (0.56) ALDH1A1PPARAPPARDCYP1A2CYP3A4
SCHEMBL12670849 0.80 PPARA (0.52) HSD11B1HSD11B2ALDH1A1PPARAMAPT
SCHEMBL1417805 0.80 PPARA (0.49) CA1CA2HSD11B1ALDH1A1PPARA
SCHEMBL21991758 0.79 PPARA (0.49) CA1CA2ALDH1A1PPARAMAPT
SCHEMBL22221537 0.78 PPARA (0.68) HSD11B1HSD11B2ALDH1A1PPARAMAPT

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
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 CA1 835/4885CA2 2750/4885HSD11B1 1/4885

“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.