SCHEMBL965261

SCHEMBL965261

Cn1nc(C(F)(F)F)c(/C=C/S(N)(=O)=O)c1-n1ccc2cc(Cl)cnc21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.33
IRAK4 Q9NWZ3 5/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 1/20 0.32
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30
FPR2 P25090 1/20 0.30
PROKR1 Q8TCW9 1/20 0.30
DGAT1 O75907 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
PABPC1 P11940 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL965265 1.00 ADAMTS5 (0.33) ADAMTS5IRAK4CYP1A2CYP2D6CYP2C19
SCHEMBL963160 0.87 HTT (0.32) IRAK4CYP1A2CYP2C19HPGDHTT
SCHEMBL963163 0.87 HTT (0.32) IRAK4CYP1A2CYP2C19HPGDHTT
SCHEMBL962809 0.87 ADAMTS5 (0.35) ADAMTS5IRAK4CYP1A2CYP2D6CYP2C19
SCHEMBL962380 0.83 IRAK4 (0.32) IRAK4
SCHEMBL962375 0.83 IRAK4 (0.32) IRAK4
SCHEMBL963384 0.81 IRAK4 (0.33) IRAK4CYP2D6CYP2C19LMNAALDH1A1
SCHEMBL963832 0.79 ALDH1A1 (0.34) LMNAALDH1A1
SCHEMBL963829 0.79 ALDH1A1 (0.34) LMNAALDH1A1
SCHEMBL965263 0.79 IRAK4 (0.33) IRAK4

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 ADAMTS5 832/4885IRAK4 1821/4885CYP1A2 537/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ADAMTS5 3376/4885IRAK4 873/4885CYP1A2 665/4885

“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.