SCHEMBL7988059

SCHEMBL7988059

CCOC(=O)C(C)(C)Oc1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.61
PPARG P37231 3/20 0.61
FBP1 P09467 9/20 0.57
ABCB11 O95342 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
HTR2A P28223 1/20 0.56
PMP22 Q01453 1/20 0.56
POLB P06746 1/20 0.46
GRM2 Q14416 1/20 0.46
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 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
SCHEMBL15546762 0.85 POLB (0.49) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL197882 0.85 PPARA (0.64) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL20730087 0.85 PPARA (0.64) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL12670824 0.84 PPARA (0.62) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL31357666 0.82 PPARA (0.61) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL655568 0.82 PPARA (0.61) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL421202 0.82 PPARA (0.61) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL4422408 0.82 PPARA (0.68) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL1417870 0.81 PPARA (0.71) PPARAPPARGFBP1ABCB11CYP1A2
SCHEMBL1549954 0.81 PPARA (0.60) PPARAPPARGFBP1ABCB11CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2875001-B1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO LTD (CN) 2019-01-09 EP disclosed
US-9434695-B2 Nitrogenous heterocyclic derivatives and their application in drugs SUNSHINE LAKE PHARMA CO., LTD (CN) 2016-09-06 US disclosed
CN-103570630-B Nitrogen heterocyclic derivative and the application in medicine thereof SUNSHINE LAKE PHARMA CO.,LTD. (CN) 2016-04-20 CN disclosed
EP-2875001-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS Sunshine Lake Pharma Co., Ltd. (CN) 2015-05-27 EP disclosed
US-20150087639-A1 Nitrogenous Heterocyclic Derivatives And Their Application In Drugs SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-03-26 US disclosed
CN-103570630-A Heterocyclic nitrogen derivative and application thereof in medicines GUANGDONG HEC PHARMACEUTICAL 2014-02-12 CN disclosed
WO-2014012360-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-01-23 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-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 (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-20150087639-A1 Nitrogenous Heterocyclic Derivatives And Their Application In Drugs TNNC1, TNNI3, IAPP PPARA 642/4885PPARG 2214/4885FBP1 691/4885
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 PPARA 455/4885PPARG 396/4885FBP1 3086/4885

“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.