SCHEMBL1064844

SCHEMBL1064844

CC(C)Oc1ccc(F)c(B(O)O)c1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.36
TRPV3 Q8NET8 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
RORC P51449 1/20 0.30
ACLY P53396 1/20 0.30
CSNK2A1 P68400 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ACHE P22303 1/20 0.30
VEGFA P15692 1/20 0.30

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
SCHEMBL29953586 1.00 FFAR4 (0.36) FFAR4TRPV3IRAK4KCNQ3KCNQ2
SCHEMBL9894129 0.83 IRAK4 (0.30) FFAR4IRAK4ALDH1A1
SCHEMBL16687411 0.83 TRPV3 (0.35) FFAR4TRPV3IRAK4KCNQ3KCNQ2
SCHEMBL29386116 0.79 ENPP2 (0.41)
SCHEMBL319245 0.79 ENPP2 (0.41)
SCHEMBL12538688 0.79 CA1 (0.41) IRAK4ALDH1A1ACHE
SCHEMBL29954395 0.79 CA1 (0.41) IRAK4ALDH1A1ACHE
SCHEMBL20361724 0.78 IRAK4 (0.33) FFAR4IRAK4KCNQ3KCNQ2RORC
SCHEMBL25835370 0.77 FFAR4 (0.37) FFAR4TRPV3IRAK4KCNQ3KCNQ2
SCHEMBL26769952 0.76 CSNK2A1 (0.39) FFAR4IRAK4KCNQ3KCNQ2RORC

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
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
EP-2475659-B1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2015-10-28 EP disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-8435976-B2 4-substituted pyridin-3-yl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE (CH) 2013-05-07 US disclosed
EP-2475659-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2012-07-18 EP disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
WO-2011029802-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
US-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-03-10 US disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 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-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 FFAR4 1371/4885TRPV3 469/4885IRAK4 1865/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 FFAR4 2958/4885TRPV3 4248/4885IRAK4 3081/4885
US-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM3, PIM2 FFAR4 2399/4885TRPV3 3573/4885IRAK4 65/4885

“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.