SCHEMBL966718

SCHEMBL966718

CCCCCS(=O)(=O)NC(=O)/C=C/c1c(C)nn(C)c1-n1cnc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.39
ASAH1 Q13510 1/20 0.38
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FGFR1 P11362 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
HTT P42858 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
SCHEMBL966721 1.00 PPARG (0.39) PPARGASAH1ALDH1A1NPC1RAB9A
SCHEMBL962746 0.85 PPARG (0.40) PPARGALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL962744 0.85 PPARG (0.40) PPARGALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL963900 0.83 PPARG (0.43) PPARG
SCHEMBL963901 0.83 PPARG (0.43) PPARG
SCHEMBL964029 0.82 PPARG (0.40) PPARGALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL964030 0.82 PPARG (0.40) PPARGALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL964207 0.82 PPARG (0.39) PPARGALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL964208 0.82 PPARG (0.39) PPARGALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL962427 0.81 PPARG (0.40) PPARGALDH1A1NPC1RAB9ASMN1; 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 2 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
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 248/4885ASAH1 379/4885ALDH1A1 421/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PPARG 3/4885ASAH1 2849/4885ALDH1A1 821/4885

“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.