SCHEMBL962936

SCHEMBL962936

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 8/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
S1PR2 O95136 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
PPARG P37231 2/20 0.31
BCHE P06276 1/20 0.31
LIPE Q05469 1/20 0.31
MCL1 Q07820 1/20 0.30
FBP1 P09467 1/20 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
SCHEMBL964636 0.89 ALDH1A1 (0.35) IRAK4ALDH1A1CYP2C9CYP2C19BCHE
SCHEMBL4570524 0.88 IRAK4 (0.35) IRAK4ALDH1A1CYP2C9CYP2C19S1PR2
SCHEMBL962130 0.86 IRAK4 (0.35) IRAK4ALDH1A1CYP2C9CYP2C19PPARG
SCHEMBL964638 0.84 MAPT (0.35) IRAK4ALDH1A1CYP2C9PPARGFBP1
SCHEMBL963241 0.81 ALDH1A1 (0.36) IRAK4ALDH1A1CYP2C9CYP2C19PPARG
SCHEMBL963027 0.81 IRAK4 (0.33) IRAK4ALDH1A1CYP2C9CYP2C19
SCHEMBL963384 0.81 IRAK4 (0.33) IRAK4ALDH1A1CYP2C9CYP2C19
SCHEMBL4570113 0.79 IRAK4 (0.33) IRAK4ALDH1A1CYP2C9CYP2C19
SCHEMBL965029 0.78 FBP1 (0.32) IRAK4ALDH1A1CYP2C9FBP1
SCHEMBL963704 0.78 PPARG (0.40) IRAK4PPARG

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 IRAK4 1821/4885ALDH1A1 421/4885CYP2C9 734/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG IRAK4 873/4885ALDH1A1 821/4885CYP2C9 1086/4885

“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.