SCHEMBL1708095

SCHEMBL1708095

COC(=O)C[C@@H]1COc2cc(NCc3cccc(-n4c(C)nc5cc(C)ccc54)c3C)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
FFAR1 O14842 9/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
CASP1 P29466 1/20 0.35
HBB P68871 1/20 0.35
PKM P14618 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GFER P55789 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
SCHEMBL1708109 0.94 FFAR1 (0.37) SMN1; SMN2FFAR1LMNATP53NPC1
SCHEMBL1708153 0.93 SMN1; SMN2 (0.40) SMN1; SMN2FFAR1LMNATP53NPC1
SCHEMBL10291337 0.92 TSHR (0.39) SMN1; SMN2FFAR1LMNATP53NPC1
SCHEMBL1708067 0.92 FFAR1 (0.44) SMN1; SMN2FFAR1LMNAPPARGPPARD
SCHEMBL1708011 0.91 LMNA (0.43) SMN1; SMN2FFAR1LMNATP53NPC1
SCHEMBL1708082 0.88 FFAR1 (0.36) SMN1; SMN2FFAR1LMNATP53NPC1
SCHEMBL1708140 0.88 FFAR1 (0.38) SMN1; SMN2FFAR1NPC1RAB9APPARG
SCHEMBL13046159 0.88 FFAR1 (0.35) FFAR1TP53PPARGPPARDKDM4E
SCHEMBL1708245 0.87 FFAR1 (0.39) FFAR1LMNAPPARGPPARDGAA
SCHEMBL1708083 0.86 LMNA (0.43) FFAR1LMNAPPARGPPARDALDH1A1

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 SMN1; SMN2 4287/4885FFAR1 20/4885LMNA 4537/4885

“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.