SCHEMBL244628

SCHEMBL244628

Cc1cc(N2CCN(Cc3ccc(NC(=O)OC(C)(C)C)cc3)C2=O)sc1C(=O)N(C)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.42
NAMPT P43490 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
CYP17A1 P05093 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
WNT1 P04628 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
DYRK1A Q13627 1/20 0.35
KIT P10721 1/20 0.35
TRPV1 Q8NER1 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
SCHEMBL1349980 0.90 SCD (0.47) SCDHDAC1WNT1CLK2CLK3
SCHEMBL244629 0.85 SCD (0.59) SCDNAMPTHDAC1
SCHEMBL244770 0.84 SCD (0.47) SCDHDAC1WNT1DYRK1ATRPV1
SCHEMBL244879 0.82 PTGDR2 (0.44) SCDPTGDR2CYP17A1HDAC1HDAC3
SCHEMBL242938 0.80 MAPT (0.41) SCDPTGDR2
SCHEMBL1349977 0.74 SCD (0.67) SCDHDAC1
SCHEMBL243757 0.70 SCD (0.76) SCDHDAC1
SCHEMBL243457 0.70 SCD (0.68) SCDHDAC1
SCHEMBL30195885 0.70 PTGDR2 (0.43) NAMPTPTGDR2CYP17A1HDAC1HDAC3
SCHEMBL244588 0.69 SCD (0.65) SCDHDAC1

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-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-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

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 SCD 1/4885NAMPT 366/4885PTGDR2 1343/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885NAMPT 484/4885PTGDR2 982/4885

“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.