SCHEMBL964053

SCHEMBL964053

CCCCCS(=O)(=O)NC(=O)CCc1c(C)nn(C)c1-n1ccc2cccnc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.38
ENPP3 O14638 1/20 0.35
ENPP2 Q13822 1/20 0.35
MTNR1A P48039 1/20 0.34
BRAF P15056 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL967854 0.93 ENPP3 (0.35) PPARGENPP3ENPP2MTNR1ABRAF
SCHEMBL966983 0.88 MTNR1A (0.37) ENPP3ENPP2MTNR1ABRAFKMT2A
SCHEMBL963043 0.87 BRAF (0.38) ENPP3ENPP2MTNR1ABRAFKMT2A
SCHEMBL966156 0.87 PPARG (0.40) PPARGKMT2A
SCHEMBL966561 0.86 MTNR1A (0.37) ENPP3ENPP2MTNR1ABRAFKMT2A
SCHEMBL966425 0.84 MTNR1A (0.37) PPARGENPP3ENPP2MTNR1ABRAF
SCHEMBL5119217 0.84 ENPP3 (0.39) ENPP3MTNR1ABRAFSLC22A12
SCHEMBL966145 0.81 PPARG (0.38) PPARGENPP3MTNR1ABRAF
SCHEMBL963879 0.81 PPARG (0.38) PPARGENPP3MTNR1ABRAF
SCHEMBL963474 0.81 MTNR1A (0.35) PPARGENPP3MTNR1ABRAFSLC22A12

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 248/4885ENPP3 1924/4885ENPP2 2566/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PPARG 3/4885ENPP3 2208/4885ENPP2 2139/4885

“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.