SCHEMBL2668319

SCHEMBL2668319

CC(C)(Oc1cccc(N)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 9/20 0.54
▸ PPARG P37231 9/20 0.54
▸ CYP3A4 P08684 3/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MAP4K4 O95819 1/20 0.49
▸ PTPN7 P35236 1/20 0.49
▸ DUSP3 P51452 1/20 0.49
▸ PTPN12 Q05209 1/20 0.49
▸ PTPN22 Q9Y2R2 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ MAOB P27338 1/20 0.47
▸ PPARD Q03181 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL15271467 0.86 CYP3A4 (0.48) PPARAPPARGCYP3A4MEN1KMT2A
SCHEMBL3845579 0.82 PPARG (0.56) PPARAPPARGCYP3A4CYP2C19MEN1
SCHEMBL7998547 0.82 CYP3A4 (0.45) PPARAPPARGCYP3A4MAP4K4ALDH1A1
SCHEMBL14943944 0.82 CYP3A4 (0.44) PPARAPPARGCYP3A4CYP1A2MAPT
SCHEMBL656201 0.82 ALDH1A1 (0.44) PPARAPPARGCYP3A4MAP4K4ALDH1A1
SCHEMBL27654984 0.81 PPARG (0.70) PPARAPPARGPPARD
SCHEMBL6597897 0.81 PPARG (0.50) PPARAPPARGCYP3A4KMT2AALDH1A1
SCHEMBL7988206 0.81 PPARA (0.55) PPARAPPARGCYP3A4CYP2C19MEN1
SCHEMBL9911068 0.81 PPARG (0.55) PPARAPPARGCYP3A4CYP2C19MEN1
Methylamine SCHEMBL27901979 0.80 PPARA (0.51) PPARAPPARGCYP3A4CYP2C19MEN1

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
EP-2310371-B1 PPAR AGONIST COMPOUNDS AND PREPARATION AND USES THEREOF FOR TREATING DIABETES AND/OR DYSLIPIDEMIA GENFIT (FR) 2013-05-15 — — EP disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 — — US disclosed
EP-2125735-B1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2012-06-27 — — EP disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 — — US disclosed
WO-2008104994-A2 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2008-09-04 — — 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 455/4885PPARG 396/4885CYP3A4 386/4885

“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.

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