SCHEMBL964545

SCHEMBL964545

CCCCCS(=O)(=O)NC(=O)/C=C/c1c(C)nn(Cc2ccccc2)c1-n1ccc2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
ENPP2 Q13822 1/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
KMT2A Q03164 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
PTGER3 P43115 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL964548 1.00 PPARG (0.40) PPARGL3MBTL1ENPP2LMNAALDH1A1
SCHEMBL966145 0.87 PPARG (0.38) PPARGHDAC1HDAC2HDAC3HDAC4
SCHEMBL963879 0.87 PPARG (0.38) PPARGHDAC1HDAC2HDAC3HDAC4
SCHEMBL963546 0.83 L3MBTL1 (0.46) L3MBTL1LMNAALDH1A1KMT2APTGDR2
SCHEMBL963544 0.83 L3MBTL1 (0.46) L3MBTL1LMNAALDH1A1KMT2APTGDR2
SCHEMBL962641 0.81 POLB (0.45) L3MBTL1LMNAALDH1A1KMT2APOLB
SCHEMBL965074 0.78 PPARG (0.39) PPARGHDAC1HDAC2HDAC3HDAC4
SCHEMBL965072 0.78 PPARG (0.39) PPARGHDAC1HDAC2HDAC3HDAC4
SCHEMBL965448 0.78 PPARG (0.40) PPARGHDAC1HDAC2HDAC3HDAC4
SCHEMBL965449 0.78 PPARG (0.40) PPARGHDAC1HDAC2HDAC3HDAC4

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 248/4885L3MBTL1 2943/4885ENPP2 2566/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PPARG 3/4885L3MBTL1 3858/4885ENPP2 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.