SCHEMBL2642622

SCHEMBL2642622

COC(=O)Cc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
PDK2 Q15119 1/20 0.48
P2RX7 Q99572 4/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
NR3C2 P08235 1/20 0.46
PTPN7 P35236 6/20 0.45
DUSP3 P51452 6/20 0.45
HSP90AB1 P08238 1/20 0.45
LMNA P02545 1/20 0.43
CTSD P07339 1/20 0.43
AR P10275 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
SCHEMBL2645838 0.88 ALDH1A1 (0.49) ALDH1A1GAAGFERPDK2P2RX7
SCHEMBL20214473 0.84 GAA (0.49) ALDH1A1GAAGFERPDK2CYP4F2
SCHEMBL2126752 0.84 ALDH1A1 (0.60) ALDH1A1GAAGFERPDK2CYP4F2
SCHEMBL1780814 0.83 IDO1 (0.53) ALDH1A1GAAGFERPDK2P2RX7
SCHEMBL20576241 0.83 ALDH1A1 (0.48) ALDH1A1GAAGFERPDK2CYP4F2
SCHEMBL6213644 0.82 P2RX7 (0.47) P2RX7NR3C2PTPN7DUSP3AR
SCHEMBL1717077 0.82 ALDH1A1 (0.56) ALDH1A1GAAGFERPDK2CYP4F2
SCHEMBL30639470 0.82 ALDH1A1 (0.56) ALDH1A1GAAGFERPDK2CYP4F2
SCHEMBL2981821 0.81 ALDH1A1 (0.51) ALDH1A1GAAGFERPDK2CYP4F2
SCHEMBL8448706 0.81 GAA (0.46) ALDH1A1GAAGFERPDK2CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2455105-A2 Bombesin analogues Bayer Pharma Aktiengesellschaft (DE) 2012-05-23 EP disclosed
EP-2289564-A2 Derivatives of aniline as precursors for F18-labeling Bayer Schering Pharma Aktiengesellschaft (DE) 2011-03-02 EP disclosed
EP-2279759-A2 Compounds and methods for 18F labeled agents Bayer Schering Pharma Aktiengesellschaft (DE) 2011-02-02 EP disclosed
US-20080292548-A1 COMPOUNDS AND METHODS FOR 18F LABELED AGENTS Lantheus Biosciences Ltd. (GB) 2008-11-27 US disclosed
EP-1985624-A2 Single step method of radiofluorination of biologically active compounds or biomolecules Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-29 EP disclosed
WO-2008028688-A2 COMPOUNDS AND METHODS FOR 18F LABELED AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO disclosed
US-7259166-B2 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
EP-1501815-B1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2006-11-22 EP disclosed
US-7105671-B2 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-09-12 US disclosed
US-20060178429-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators CORBETT WENDY L 2006-08-10 US disclosed
EP-1501815-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-02 EP disclosed
WO-2003095438-A9 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-12-23 WO disclosed
US-20030225283-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators CORBETT WENDY LEA (US) 2003-12-04 US disclosed
WO-2003095438-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 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 (3 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-20060178429-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators GCKR, GCK, PDXK ALDH1A1 3003/4885GAA 585/4885GFER 1710/4885
US-20080292548-A1 COMPOUNDS AND METHODS FOR 18F LABELED AGENTS QPCT, GBA2, GBA1 ALDH1A1 2019/4885GAA 37/4885GFER 2579/4885
US-20030225283-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators GCKR, GCK, PDXK ALDH1A1 3003/4885GAA 585/4885GFER 1710/4885

“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.