SCHEMBL965029

SCHEMBL965029

CCCCNC(=O)NS(=O)(=O)CCc1c(C)nn(C)c1-n1ccc2cc(C3CC3)cnc21

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.32
ALDH1A1 P00352 1/20 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
EPHX2 P34913 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
MAPK1 P28482 1/20 0.31
APLNR P35414 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
SCHEMBL963241 0.89 ALDH1A1 (0.36) FBP1ALDH1A1LMNAALBCYP2C9
SCHEMBL5111975 0.88 DHODH (0.33)
SCHEMBL964636 0.88 ALDH1A1 (0.35) FBP1ALDH1A1LMNAALBCYP2C9
SCHEMBL964638 0.86 MAPT (0.35) FBP1ALDH1A1LMNAALBCYP2C9
SCHEMBL962130 0.84 IRAK4 (0.35) ALDH1A1CYP2C9IRAK4MAPK1
SCHEMBL966425 0.84 MTNR1A (0.37) FBP1ALDH1A1LMNAALBCYP2C9
SCHEMBL963422 0.81 APLNR (0.30) APLNR
SCHEMBL962512 0.81 PKMYT1 (0.30)
SCHEMBL963019 0.78 TP53 (0.37) FBP1ALDH1A1LMNAALBCYP2C9
SCHEMBL961699 0.78 CYP2C9 (0.34) FBP1ALDH1A1LMNAALBCYP2C9

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 FBP1 74/4885ALDH1A1 421/4885LMNA 3775/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG FBP1 1241/4885ALDH1A1 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.