SCHEMBL962013

SCHEMBL962013

CCCCCC(=O)NS(=O)(=O)NCc1c(C)nn(C)c1-n1ccc2cc(Cl)ccc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PPARG P37231 4/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
DRD2 P14416 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL962963 0.90 PPARG (0.36) GSK3BPPARGHDAC3HDAC1
SCHEMBL967852 0.87 CNR1 (0.34) HPGDPPARGALDH1A1
SCHEMBL964454 0.87 PPARG (0.42) GSK3BPPARG
SCHEMBL27773059 0.86 PPARG (0.35) GSK3BMEN1KMT2AKDM4EHPGD
SCHEMBL27773061 0.84 PPARG (0.33) GSK3BMEN1KMT2AKDM4EHPGD
SCHEMBL966732 0.83 PPARG (0.47) PPARG
SCHEMBL962317 0.82 GSK3B (0.38) GSK3BMEN1KMT2AKDM4EHPGD
SCHEMBL962316 0.82 GSK3B (0.38) GSK3BMEN1KMT2AKDM4EHPGD
SCHEMBL962603 0.82 RAB9A (0.39) MEN1KMT2AKDM4EPPARGMAPT
SCHEMBL965763 0.81 PPARG (0.41) 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 GSK3B 1395/4885MEN1 1234/4885KMT2A 1809/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG GSK3B 2221/4885MEN1 4766/4885KMT2A 2017/4885

“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.