SCHEMBL1708346

SCHEMBL1708346

Cc1nc(N2CCOCC2)nc(C)c1-c1cccc(CNc2ccc3c(c2)OC[C@H]3CC(=O)O)c1C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.43
GAA P10253 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARD Q03181 3/20 0.38
PPARG P37231 2/20 0.38
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37

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
Tromethamine SCHEMBL10010628 0.94 FFAR1 (0.40) FFAR1GAAKDM4EHSD17B10PPARD
SCHEMBL1707899 0.89 FFAR1 (0.43) FFAR1GAAKDM4EHSD17B10PPARD
SCHEMBL1708348 0.85 GAA (0.39) GAAKDM4EHSD17B10ALOX15MAPK1
SCHEMBL1708183 0.82 FFAR1 (0.39) FFAR1PPARDPPARG
SCHEMBL1707920 0.82 FFAR1 (0.46) FFAR1PPARDPPARG
SCHEMBL10010651 0.81 AOC3 (0.35) GAAKDM4EHSD17B10ALOX15MAPK1
SCHEMBL10009339 0.80 FFAR1 (0.36) FFAR1PPARDPPARG
SCHEMBL1708294 0.79 FFAR1 (0.45) FFAR1PPARDPPARG
SCHEMBL10291552 0.79 MAPT (0.37) FFAR1GAAKDM4EHSD17B10ALOX15
SCHEMBL1708299 0.78 FFAR1 (0.42) FFAR1PPARDPPARG

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
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R FFAR1 20/4885GAA 3185/4885KDM4E 3896/4885

“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.