SCHEMBL962779

SCHEMBL962779

CCCCCS(=O)(=O)NC(=O)/C=C/c1c(C)nn(C)c1-n1ncc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.39
NR3C1 P04150 1/20 0.38
ASAH1 Q13510 1/20 0.38
PHGDH O43175 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NAMPT P43490 1/20 0.33

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
SCHEMBL962780 1.00 PPARG (0.39) PPARGNR3C1ASAH1PHGDHHDAC3
SCHEMBL964030 0.86 PPARG (0.40) PPARGNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL964029 0.86 PPARG (0.40) PPARGNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL962744 0.85 PPARG (0.40) PPARGPHGDHNPC1ALDH1A1RAB9A
SCHEMBL962746 0.85 PPARG (0.40) PPARGPHGDHNPC1ALDH1A1RAB9A
Potassium Ion SCHEMBL962180 0.83 ASAH1 (0.35) NR3C1ASAH1PHGDHNPC1ALDH1A1
SCHEMBL965424 0.83 PPARG (0.42) PPARGNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL965422 0.83 PPARG (0.42) PPARGNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL962427 0.81 PPARG (0.40) PPARGNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL962424 0.81 PPARG (0.40) PPARGNPC1ALDH1A1RAB9ASMN1; SMN2

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 PPARG 248/4885NR3C1 250/4885ASAH1 379/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PPARG 3/4885NR3C1 62/4885ASAH1 2849/4885

“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.