SCHEMBL244068

SCHEMBL244068

Cc1cc(-n2cnn(Cc3ccccc3)c2=O)sc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.47
PPARD Q03181 8/20 0.47
PPARA Q07869 8/20 0.47
SCD O00767 7/20 0.47
RORC P51449 1/20 0.43
ROCK2 O75116 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL243871 0.90 SCD (0.60) PPARGPPARDPPARASCD
SCHEMBL244247 0.88 MEN1 (0.52) PPARGPPARDPPARASCDMEN1
SCHEMBL242950 0.87 PPARD (0.55) PPARGPPARDPPARASCD
SCHEMBL243074 0.81 SCD (0.66) SCD
SCHEMBL1909734 0.76 ROCK2 (0.45) PPARGPPARDPPARASCDROCK2
SCHEMBL245289 0.75 PPARD (0.51) PPARGPPARDPPARASCDMEN1
SCHEMBL245376 0.75 SCD (0.77) SCD
SCHEMBL244461 0.73 SCD (0.78) SCD
SCHEMBL243645 0.72 SCD (0.58) PPARGPPARDPPARASCD
SCHEMBL246100 0.72 SCD (0.82) PPARGPPARDPPARASCD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 US disclosed
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 US disclosed
EP-2054408-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL Novartis Ag (CH) 2009-05-06 EP disclosed
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 WO 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-20100233116-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 PPARG 30/4885PPARD 45/4885PPARA 44/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 PPARG 28/4885PPARD 33/4885PPARA 51/4885

“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.