SCHEMBL1417528

SCHEMBL1417528

CCOC(=O)C(C)(C)Oc1c(F)cc(C)cc1F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.49
ABCB11 O95342 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
HTR2A P28223 1/20 0.49
PMP22 Q01453 1/20 0.49
FBP1 P09467 14/20 0.46
CNR2 P34972 3/20 0.43
PPARG P37231 1/20 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
SCHEMBL29306631 0.88 PPARA (0.57) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1417843 0.88 PPARA (0.47) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL7994918 0.84 PPARA (0.53) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL21188304 0.83 PPARA (0.51) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL21188250 0.80 FBP1 (0.53) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL7995224 0.80 PPARA (0.42) PPARACYP1A2CYP3A4PPARG
SCHEMBL5479439 0.79 FBP1 (0.42) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL7974421 0.77 FBP1 (0.50) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL10207532 0.77 PPARA (0.52) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL16792333 0.77 FBP1 (0.50) PPARAABCB11CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298747-B1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2016-12-28 EP disclosed
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-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
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 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 (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 455/4885ABCB11 1505/4885CYP1A2 320/4885

“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.