SCHEMBL964117

SCHEMBL964117

CCCCNS(=O)(=O)NC(=O)C=Cc1c(C)nn(C)c1-n1ccc2cc(C3CC3)cnc21

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.31
HDAC1 Q13547 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
SCHEMBL964116 1.00 PPARG (0.31) PPARGHDAC1
SCHEMBL967733 0.89 HDAC1 (0.32) HDAC1
SCHEMBL967732 0.89 HDAC1 (0.32) HDAC1
SCHEMBL966854 0.89 PPARG (0.41) PPARG
SCHEMBL966855 0.89 PPARG (0.41) PPARG
SCHEMBL28781998 0.88 PPARG (0.33) PPARG
SCHEMBL966859 0.88 PPARG (0.33) PPARGHDAC1
SCHEMBL966858 0.88 PPARG (0.33) PPARGHDAC1
SCHEMBL963366 0.88 ENPP3 (0.37) HDAC1
SCHEMBL963367 0.88 ENPP3 (0.37) HDAC1

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 248/4885HDAC1 108/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PPARG 3/4885HDAC1 338/4885

“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.