SCHEMBL7984744

SCHEMBL7984744

CCOC(=O)C(C)(C)Oc1ccc(C#N)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.53
ABCB11 O95342 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
HTR2A P28223 1/20 0.53
PMP22 Q01453 1/20 0.53
FBP1 P09467 9/20 0.53
PPARG P37231 3/20 0.46
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TRPA1 O75762 1/20 0.38
MGLL Q99685 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37

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
SCHEMBL12670831 0.82 MGLL (0.48) PPARACYP1A2CYP3A4TSHRPPARG
SCHEMBL198547 0.81 PPARA (0.58) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL31117791 0.80 PPARA (0.65) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1712071 0.80 PPARA (0.57) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1549344 0.79 PPARA (0.56) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4692295 0.78 PPARA (0.66) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL12670848 0.78 AR (0.41) TRPA1TRPV4
SCHEMBL21188318 0.78 FBP1 (0.60) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL16585195 0.77 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL31357584 0.77 PPARA (0.61) 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 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 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.