SCHEMBL244425

SCHEMBL244425

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.49
SCD O00767 2/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
PKM P14618 1/20 0.42
PKLR P30613 1/20 0.42
PPARD Q03181 6/20 0.41
PPARG P37231 4/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGS2 P35354 2/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
PLK1 P53350 1/20 0.38

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
SCHEMBL242780 0.88 PPARA (0.52) PPARASCDPKMPKLRPPARD
SCHEMBL242868 0.87 SCD (0.56) PPARASCDPPARDPPARGKDM4E
SCHEMBL244247 0.87 MEN1 (0.52) PPARASCDPPARDPPARGKDM4E
SCHEMBL245289 0.85 PPARD (0.51) PPARASCDPPARDPPARGKDM4E
SCHEMBL244332 0.78 SCD (0.62) SCDLMNAALDH1A1NPSR1
SCHEMBL4565162 0.77 PPARA (0.43) PPARASCDPDE3BPDE3APKM
SCHEMBL244068 0.75 PPARG (0.47) PPARASCDPPARDPPARGMEN1
SCHEMBL243802 0.75 ALOX15 (0.41) SCDMEN1LMNAMAPTKMT2A
SCHEMBL1909737 0.74 PPARA (0.47) PPARASCDPKMPKLRPPARD
SCHEMBL242950 0.73 PPARD (0.55) PPARASCDPPARDPPARG

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 PPARA 44/4885SCD 1/4885PDE3B 2608/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 PPARA 51/4885SCD 1/4885PDE3B 2279/4885

“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.