SCHEMBL964870

SCHEMBL964870

CCCCCS(=O)(=O)NC(=O)NCCCc1c(C)nn(C)c1-n1ccc2cc(Cl)ccc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.38
TP53 P04637 1/20 0.37
MAPK8 P45983 1/20 0.36
MCL1 Q07820 1/20 0.35
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
POLB P06746 1/20 0.34
PLA2G4A P47712 1/20 0.34

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
SCHEMBL963042 0.97 TP53 (0.40) PPARGTP53MAPK8MCL1CNR1
SCHEMBL964880 0.94 TP53 (0.37) PPARGTP53MAPK8MCL1CNR1
SCHEMBL962603 0.92 RAB9A (0.39) PPARGTP53MCL1
SCHEMBL4554288 0.91 TP53 (0.38) PPARGTP53MAPK8MCL1CNR1
SCHEMBL966732 0.89 PPARG (0.47) PPARG
SCHEMBL963019 0.88 TP53 (0.37) PPARGTP53MAPK8MCL1CNR1
SCHEMBL965763 0.87 PPARG (0.41) PPARGMAPK8
SCHEMBL968367 0.87 TP53 (0.35) TP53MAPK8MCL1POLBPLA2G4A
SCHEMBL963812 0.85 TP53 (0.37) PPARGTP53MCL1POLBPLA2G4A
SCHEMBL964454 0.85 PPARG (0.42) PPARG

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 PPARG 248/4885TP53 2149/4885MAPK8 2053/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PPARG 3/4885TP53 1057/4885MAPK8 2186/4885

“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.