SCHEMBL964638

SCHEMBL964638

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
PPARG P37231 9/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
POLB P06746 1/20 0.33
FBP1 P09467 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
ALB P02768 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL966422 0.90 MAPT (0.35) MAPTIRAK4POLB
SCHEMBL963241 0.90 ALDH1A1 (0.36) MAPTPPARGIRAK4POLBFBP1
SCHEMBL966226 0.89 MAPT (0.33) MAPTPPARGIRAK4POLB
SCHEMBL964636 0.88 ALDH1A1 (0.35) IRAK4POLBFBP1ALDH1A1LMNA
SCHEMBL5119940 0.88 NR3C1 (0.34) MAPTPPARGPOLB
SCHEMBL965516 0.87 CHRNA7 (0.33) MAPTPOLB
SCHEMBL963219 0.86 MAPT (0.35) MAPTPPARGFBP1ALDH1A1LMNA
SCHEMBL965029 0.86 FBP1 (0.32) IRAK4FBP1ALDH1A1LMNAALB
SCHEMBL966425 0.84 MTNR1A (0.37) MAPTPPARGFBP1ALDH1A1LMNA
SCHEMBL962936 0.84 IRAK4 (0.35) PPARGIRAK4FBP1ALDH1A1CYP2C9

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 6 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 claimed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 US claimed
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 MAPT 4343/4885PPARG 248/4885IRAK4 1821/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG MAPT 4720/4885PPARG 3/4885IRAK4 873/4885

“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.