SCHEMBL966471

SCHEMBL966471

CC(C)CCCS(=O)(=O)O.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
LMNA P02545 2/20 0.36
BLM P54132 2/20 0.36
PTGS1 P23219 1/20 0.36
PDE4A P27815 1/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.35
CA1 P00915 2/20 0.32
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
ST6GAL1 P15907 1/20 0.31
GPBAR1 Q8TDU6 2/20 0.30
NR1H4 Q96RI1 1/20 0.30
GRIA1 P42261 3/20 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
SCHEMBL329052 0.97 APP (0.46) APPLMNABLMPTGS1PDE4A
SCHEMBL28621315 0.95 APP (0.44) APPLMNABLMPTGS1PDE4A
Ammonia Solution, Strong SCHEMBL18008289 0.95 APP (0.44) APPLMNABLMPTGS1PDE4A
SCHEMBL21483589 0.91 APP (0.41) APPLMNABLMPTGS1PDE4A
Dimethylamine SCHEMBL18008742 0.91 APP (0.41) APPLMNABLMPTGS1PDE4A
SCHEMBL5637565 0.90 APP (0.44) APPLMNABLMPTGS1PDE4A
SCHEMBL10045748 0.89 LMNA (0.54) APPLMNABLMPTGS1PDE4A
SCHEMBL2240223 0.89 LMNA (0.54) APPLMNABLMPTGS1PDE4A
SCHEMBL25358063 0.88 APP (0.42) APPLMNABLMPTGS1PDE4A
SCHEMBL9019490 0.88 APP (0.42) APPLMNABLMPTGS1PDE4A

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
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 (2 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 APP 2556/4885LMNA 3775/4885BLM 3747/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG APP 3306/4885LMNA 3461/4885BLM 3789/4885

“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.