SCHEMBL1708113

SCHEMBL1708113

CCOc1nc2ccccc2n1-c1cccc(CNc2ccc3c(c2)OC[C@H]3CC(=O)OC)c1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.40
PPARG P37231 2/20 0.35
PPARA Q07869 1/20 0.35
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PPARD Q03181 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 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
SCHEMBL1708013 0.93 FFAR1 (0.47) FFAR1PPARGPPARAPPARD
SCHEMBL1708164 0.93 FFAR1 (0.37) FFAR1PPARGPPARALMNATSHR
SCHEMBL1708151 0.92 FFAR1 (0.40) FFAR1PPARGPPARAPOLBGAA
SCHEMBL1708300 0.92 FFAR1 (0.38) FFAR1PPARGPPARALMNASMN1; SMN2
SCHEMBL1708157 0.90 FFAR1 (0.38) FFAR1LMNATSHRHTTSMN1; SMN2
SCHEMBL10291337 0.90 TSHR (0.39) FFAR1PPARGPPARALMNATSHR
SCHEMBL1708146 0.88 FFAR1 (0.36) FFAR1PPARGPPARALMNATSHR
SCHEMBL1708632 0.88 FFAR1 (0.36) FFAR1LMNATSHRHTTSMN1; SMN2
SCHEMBL1708074 0.88 ALDH1A1 (0.36) FFAR1LMNATSHRHTTSMN1; SMN2
SCHEMBL1708621 0.87 FFAR1 (0.43) FFAR1PPARGPPARAPPARD

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 4 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
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 20/4885PPARG 155/4885PPARA 236/4885

“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.