SCHEMBL244902

SCHEMBL244902

CCOC(=O)c1sc(N2CCN(CC3CCCCO3)C2=O)nc1C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.52
HPGD P15428 4/20 0.52
HTT P42858 2/20 0.52
MAPK1 P28482 2/20 0.52
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SCD O00767 4/20 0.44
GAA P10253 4/20 0.42
ALDH1A1 P00352 7/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 2/20 0.41
FEN1 P39748 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.37

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
SCHEMBL244248 0.88 SCD (0.46) HSD17B10HPGDHTTMAPK1SCD
SCHEMBL241064 0.86 SCD (0.56) HSD17B10HPGDHTTMAPK1TSHR
SCHEMBL243342 0.85 SCD (0.57) HSD17B10HPGDHTTMAPK1TSHR
SCHEMBL246309 0.84 SCD (0.54) HSD17B10HPGDHTTMAPK1TSHR
SCHEMBL244847 0.84 SCD (0.55) HSD17B10HPGDHTTMAPK1TSHR
SCHEMBL244610 0.80 ALDH1A1 (0.52) HSD17B10HPGDHTTTSHRSMN1; SMN2
SCHEMBL241656 0.80 SCD (0.49) HSD17B10HPGDHTTMAPK1TSHR
SCHEMBL243756 0.79 SCD (0.69) SCD
SCHEMBL349319 0.78 SCD (0.45) HPGDSCDALDH1A1MEN1KMT2A
SCHEMBL244362 0.78 ALDH1A1 (0.50) HSD17B10HPGDTSHRSCDALDH1A1

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 HSD17B10 61/4885HPGD 322/4885HTT 929/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 HSD17B10 43/4885HPGD 344/4885HTT 2592/4885

“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.