SCHEMBL1708595

SCHEMBL1708595

COC(=O)C[C@@H]1COc2cc(NC3COc4c3cccc4-n3c(C)nc4ccccc43)ccc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
FFAR1 O14842 8/20 0.34
PPARD Q03181 5/20 0.34
PPARG P37231 5/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARA Q07869 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL1708110 0.92 PPARG (0.40) TSHRMAPK1FFAR1PPARDPPARG
SCHEMBL1708398 0.92 PPARG (0.40) TSHRMAPK1FFAR1PPARDPPARG
SCHEMBL1707943 0.92 PPARG (0.40) TSHRMAPK1FFAR1PPARDPPARG
SCHEMBL1707944 0.85 TSHR (0.38) TSHRMAPK1SMN1; SMN2L3MBTL1LMNA
SCHEMBL1708399 0.85 TSHR (0.38) TSHRMAPK1SMN1; SMN2L3MBTL1LMNA
SCHEMBL1708112 0.85 TSHR (0.38) TSHRMAPK1SMN1; SMN2L3MBTL1LMNA
SCHEMBL1708167 0.84 PPARG (0.39) FFAR1PPARDPPARGL3MBTL1PPARA
SCHEMBL1708165 0.84 FFAR1 (0.42) FFAR1PPARDPPARGPPARA
SCHEMBL1707941 0.84 PPARG (0.39) FFAR1PPARDPPARGL3MBTL1PPARA
SCHEMBL1708286 0.83 FFAR1 (0.40) FFAR1PPARDPPARGPPARA

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 3 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
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

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 TSHR 637/4885MAPK1 326/4885SMN1; SMN2 4287/4885

“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.