SCHEMBL4570524

SCHEMBL4570524

Cn1nc(C(F)(F)F)c(CCS(=O)(=O)NC(=O)O)c1-n1ccc2cc(Cl)cnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.35
ALDH1A1 P00352 4/20 0.33
CYP3A4 P08684 4/20 0.33
CYP2C19 P33261 4/20 0.33
CYP2C9 P11712 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 2/20 0.31
POLB P06746 1/20 0.31
S1PR2 O95136 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TBXA2R P21731 1/20 0.31
MAPK1 P28482 1/20 0.30
FGFR1 P11362 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
SCHEMBL5120302 0.89 IRAK4 (0.34) IRAK4ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL962936 0.88 IRAK4 (0.35) IRAK4ALDH1A1CYP2C19CYP2C9S1PR2
SCHEMBL963384 0.86 IRAK4 (0.33) IRAK4ALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL5127447 0.84 IRAK4 (0.35) IRAK4
SCHEMBL4570113 0.84 IRAK4 (0.33) IRAK4ALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL5119940 0.83 NR3C1 (0.34) GAAMAPTPOLB
SCHEMBL963027 0.82 IRAK4 (0.33) IRAK4ALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL5117304 0.79 ENPP3 (0.33)
SCHEMBL4554378 0.79 IRAK4 (0.34) IRAK4ALDH1A1LMNAMEN1KMT2A
SCHEMBL963704 0.78 PPARG (0.40) IRAK4L3MBTL1MAPK1

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-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 US claimed
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 (1 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 421/4885CYP3A4 299/4885

“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.