SCHEMBL7973952

SCHEMBL7973952

CC(C)(Oc1ccc(N)c(F)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
PPARG P37231 8/20 0.49
PTPN7 P35236 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN12 Q05209 1/20 0.47
PTPN22 Q9Y2R2 1/20 0.47
FABP2 P12104 1/20 0.45
SLC22A12 Q96S37 1/20 0.45
MAP4K4 O95819 2/20 0.42
PDE5A O76074 1/20 0.42
KCNH2 Q12809 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
TSHR P16473 2/20 0.42

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
SCHEMBL1418013 0.85 PPARA (0.61) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL31067899 0.85 PPARA (0.61) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL7991796 0.83 HDAC1 (0.40) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL14447008 0.82 PPARA (0.53) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL1712071 0.81 PPARA (0.57) PPARACYP1A2CYP3A4PPARGTSHR
SCHEMBL31117868 0.81 PPARA (0.60) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL3371724 0.81 PPARA (0.60) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL24936544 0.79 PPARA (0.51) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL24936090 0.78 PPARA (0.49) PPARAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL3405351 0.78 PPARA (0.50) PPARAMEN1KMT2ACYP2C19CYP1A2

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
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
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 PPARA 455/4885MEN1 2484/4885KMT2A 2930/4885

“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.