SCHEMBL963704

SCHEMBL963704

CCCCCC(=O)NS(=O)(=O)CCc1c(C)nn(C)c1-n1ccc2cc(Cl)cnc21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.40
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.33
NR3C1 P04150 1/20 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
SCHEMBL964636 0.88 ALDH1A1 (0.35) IRAK4NR3C1
SCHEMBL964454 0.87 PPARG (0.42) PPARG
SCHEMBL967854 0.86 ENPP3 (0.35) PPARGGLA
SCHEMBL963357 0.81 NR3C1 (0.33) IRAK4NR3C1
SCHEMBL966732 0.80 PPARG (0.47) PPARG
SCHEMBL962959 0.80 HPGD (0.32) IRAK4
SCHEMBL963241 0.80 ALDH1A1 (0.36) PPARGIRAK4
SCHEMBL964053 0.79 PPARG (0.38) PPARG
SCHEMBL5117304 0.79 ENPP3 (0.33)
SCHEMBL966605 0.79 PPARG (0.44) PPARGIRAK4

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 2 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
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 248/4885NPC1 441/4885GLA 255/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PPARG 3/4885NPC1 1538/4885GLA 791/4885

“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.