SCHEMBL1417534

SCHEMBL1417534

CCOC(=O)C(C)(C)Oc1ccc(F)cc1F

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 10/20 0.62
PPARA Q07869 2/20 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
GCK P35557 2/20 0.44
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
PPARG P37231 1/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.40

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
SCHEMBL7981278 0.89 FBP1 (0.60) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL2431952 0.88 FBP1 (0.62) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL21188250 0.88 FBP1 (0.53) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL3904657 0.87 FBP1 (0.52) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL7980993 0.86 FBP1 (0.60) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL12860025 0.86 FBP1 (0.51) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL2824290 0.86 PPARA (0.61) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL2655314 0.86 FBP1 (0.48) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL3905611 0.85 PPARA (0.52) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL31745150 0.85 FBP1 (0.59) FBP1PPARAABCB11CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738642-B2 Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
EP-2298747-B1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2016-12-28 EP disclosed
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2016-08-18 US disclosed
EP-3046922-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS Bristol-Myers Squibb Company (US) 2016-07-27 EP disclosed
WO-2015042243-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-26 WO 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
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 (2 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 FBP1 3086/4885PPARA 455/4885ABCB11 1505/4885
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS GRM2, GRIK2, GRIA2 FBP1 2198/4885PPARA 275/4885ABCB11 1945/4885

“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.