SCHEMBL963196

SCHEMBL963196

CCCCNS(=O)(=O)NC(=O)/C=C/c1c(C)nn(C)c1-n1cc(Cl)c2ccc(OC)cc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.36
PTGS2 P35354 3/20 0.34
DYRK1A Q13627 11/20 0.34
PPARG P37231 2/20 0.33
PTGS1 P23219 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 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
SCHEMBL963198 1.00 PTAFR (0.36) PTAFRPTGS2DYRK1APPARGPTGS1
SCHEMBL964902 0.87 HDAC3 (0.35) PPARG
SCHEMBL964903 0.87 HDAC3 (0.35) PPARG
SCHEMBL964972 0.85 MTNR1A (0.39) PTAFRPTGS2PTGS1
SCHEMBL964970 0.85 MTNR1A (0.39) PTAFRPTGS2PTGS1
SCHEMBL964274 0.81 ELANE (0.32) PPARG
SCHEMBL964275 0.81 ELANE (0.32) PPARG
SCHEMBL965978 0.79 KDM4E (0.32) PTGS2
SCHEMBL965979 0.79 KDM4E (0.32) PTGS2
SCHEMBL965208 0.78 PIM3 (0.34) PTAFRPPARG

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 PTAFR 3477/4885PTGS2 1283/4885DYRK1A 4425/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PTAFR 767/4885PTGS2 710/4885DYRK1A 3803/4885

“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.