SCHEMBL964880

SCHEMBL964880

CCCCNC(=O)NS(=O)(=O)CCc1c(C)nn(C)c1-n1ccc2cc(Cl)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
CNR1 P21554 5/20 0.35
CNR2 P34972 5/20 0.35
MAPK8 P45983 1/20 0.35
MCL1 Q07820 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP2C9 P11712 2/20 0.34
LMNA P02545 1/20 0.34
ALB P02768 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FBP1 P09467 1/20 0.34
POLB P06746 1/20 0.34
PPARG P37231 2/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.34
PLA2G4A P47712 2/20 0.34
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
RAB9A P51151 2/20 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
SCHEMBL4554288 0.95 TP53 (0.38) TP53CNR1CNR2MAPK8MCL1
SCHEMBL964870 0.94 PPARG (0.38) TP53CNR1CNR2MAPK8MCL1
SCHEMBL963019 0.93 TP53 (0.37) TP53CNR1CNR2MAPK8MCL1
SCHEMBL963042 0.93 TP53 (0.40) TP53CNR1CNR2MAPK8MCL1
SCHEMBL968367 0.91 TP53 (0.35) TP53MAPK8MCL1FBP1POLB
SCHEMBL961699 0.90 CYP2C9 (0.34) TP53CNR1CNR2ALDH1A1CYP2C9
SCHEMBL963812 0.89 TP53 (0.37) TP53MCL1POLBPPARGPLA2G4A
SCHEMBL966058 0.88 TP53 (0.38) TP53CNR1CNR2MAPK8MCL1
SCHEMBL962603 0.88 RAB9A (0.39) TP53MCL1ALDH1A1TDP1PPARG
SCHEMBL963610 0.88 IRAK4 (0.35) TP53MAPK8MCL1LMNAPOLB

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 TP53 2149/4885CNR1 1414/4885CNR2 2360/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG TP53 1057/4885CNR1 153/4885CNR2 290/4885

“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.