SCHEMBL4553100

SCHEMBL4553100

Cc1nn(C)c(-n2ccc3ccc(OC(C)C(=O)OC(C)(C)C)cc32)c1/C=C/C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PIM3 Q86V86 1/20 0.34
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MCL1 Q07820 1/20 0.30

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
SCHEMBL4553102 1.00 ALDH1A1 (0.37) ALDH1A1GAAL3MBTL1PIM3NPC1
SCHEMBL965488 0.91 POLB (0.34) PIM3SMN1; SMN2
SCHEMBL964065 0.87 PIM3 (0.43) ALDH1A1GAAL3MBTL1PIM3NPC1
SCHEMBL964067 0.87 PIM3 (0.43) ALDH1A1GAAL3MBTL1PIM3NPC1
SCHEMBL965490 0.85 PIM3 (0.32) PIM3SMN1; SMN2MCL1
SCHEMBL965489 0.85 PIM3 (0.32) PIM3SMN1; SMN2MCL1
SCHEMBL4553930 0.84 ALDH1A1 (0.40) ALDH1A1GAAL3MBTL1PIM3NPC1
SCHEMBL4553929 0.84 ALDH1A1 (0.40) ALDH1A1GAAL3MBTL1PIM3NPC1
SCHEMBL966513 0.83 ALDH1A1 (0.44) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL966514 0.83 ALDH1A1 (0.44) ALDH1A1GAAL3MBTL1NPC1RAB9A

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
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 US 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 ALDH1A1 421/4885GAA 76/4885L3MBTL1 2943/4885

“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.