SCHEMBL711322

SCHEMBL711322

COC(=O)c1cc(O)ccc1OC(C)C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.59
CA1 P00915 6/20 0.59
CA2 P00918 6/20 0.59
CA7 P43166 6/20 0.59
CA9 Q16790 6/20 0.59
CA14 Q9ULX7 6/20 0.59
PDK2 Q15119 1/20 0.54
PDK4 Q16654 1/20 0.54
EGFR P00533 3/20 0.46
IRAK4 Q9NWZ3 2/20 0.44
PTGS2 P35354 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
RORC P51449 1/20 0.41
AR P10275 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
ULK1 O75385 1/20 0.40
GAA P10253 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
SCHEMBL711452 0.87 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL7619139 0.82 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL31009365 0.82 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL28393111 0.82 IRAK4 (0.42) CA12CA1CA2CA7CA9
SCHEMBL3412460 0.82 ABL1 (0.53) RORCLMNATSHR
SCHEMBL8512426 0.82 HSD17B10 (0.52) IRAK4ARLMNATSHRGAA
SCHEMBL4020950 0.82 IRAK4 (0.42) CA12CA1CA2CA7CA9
SCHEMBL7564303 0.82 GAA (0.54) IRAK4RORCTSHRULK1GAA
SCHEMBL28348812 0.81 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL28349231 0.81 ALDH1A1 (0.49) IRAK4PTGS2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940837-B1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2012-11-07 EP disclosed
EP-1940837-B1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2012-11-07 EP disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
EP-1940837-A2 IMIDAZOPYRIDINE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-07-09 EP disclosed
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 WO disclosed
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 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-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS GCK, GCKR, KHK CA12 2801/4885CA1 2471/4885CA2 616/4885

“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.