SCHEMBL963384

SCHEMBL963384

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 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
SCHEMBL4570113 0.87 IRAK4 (0.33) IRAK4ALDH1A1LMNACYP3A4CYP2C9
SCHEMBL962959 0.86 HPGD (0.32) IRAK4LMNA
SCHEMBL4570524 0.86 IRAK4 (0.35) IRAK4ALDH1A1LMNACYP3A4CYP2C9
SCHEMBL4554378 0.83 IRAK4 (0.34) IRAK4ALDH1A1LMNA
SCHEMBL961700 0.82 IRAK4 (0.33) IRAK4
SCHEMBL963027 0.81 IRAK4 (0.33) IRAK4ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL965265 0.81 ADAMTS5 (0.33) IRAK4ALDH1A1LMNACYP2C19CYP2D6
SCHEMBL965261 0.81 ADAMTS5 (0.33) IRAK4ALDH1A1LMNACYP2C19CYP2D6
SCHEMBL965263 0.81 IRAK4 (0.33) IRAK4
SCHEMBL962936 0.81 IRAK4 (0.35) IRAK4ALDH1A1CYP2C9CYP2C19

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 IRAK4 1821/4885ALDH1A1 421/4885LMNA 3775/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG IRAK4 873/4885ALDH1A1 821/4885LMNA 3461/4885

“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.