SCHEMBL245289

SCHEMBL245289

CCOC(=O)c1sc(-n2cnn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.51
PPARA Q07869 16/20 0.51
PPARG P37231 12/20 0.51
SCD O00767 3/20 0.49
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPT P10636 1/20 0.45
CRHBP P24387 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHR2 Q13324 1/20 0.45

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
SCHEMBL242868 0.89 SCD (0.56) PPARDPPARAPPARGSCDKDM4E
SCHEMBL242950 0.88 PPARD (0.55) PPARDPPARAPPARGSCD
SCHEMBL244247 0.87 MEN1 (0.52) PPARDPPARAPPARGSCDKDM4E
SCHEMBL244719 0.85 SCD (0.64) PPARDPPARAPPARGSCDKDM4E
SCHEMBL244425 0.85 PPARA (0.49) PPARDPPARAPPARGSCDKDM4E
SCHEMBL244461 0.78 SCD (0.78) SCD
SCHEMBL243802 0.77 ALOX15 (0.41) SCDMEN1MAPTKMT2A
SCHEMBL246376 0.76 HDAC1 (0.48) PPARDPPARAPPARGSCDKDM4E
SCHEMBL244068 0.75 PPARG (0.47) PPARDPPARAPPARGSCDMEN1
SCHEMBL245267 0.75 SCD (0.68) PPARDPPARAPPARGSCD

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 15 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-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-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-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
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
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 PPARD 45/4885PPARA 44/4885PPARG 30/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 PPARD 33/4885PPARA 51/4885PPARG 28/4885

“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.