SCHEMBL244629

SCHEMBL244629

Cc1cc(N2CCN(Cc3ccc(NC(=O)OC(C)(C)C)cc3)C2=O)sc1C(=O)NCc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.59
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NAMPT P43490 1/20 0.41
HDAC1 Q13547 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
SCHEMBL1349977 0.90 SCD (0.67) SCDKDM4EALDH1A1GLAGAA
SCHEMBL243757 0.87 SCD (0.76) SCDKDM4EALDH1A1GLAGAA
SCHEMBL243457 0.86 SCD (0.68) SCDKDM4EALDH1A1GLAGAA
SCHEMBL244519 0.85 SCD (0.78) SCDKDM4EALDH1A1GLAGAA
SCHEMBL244588 0.85 SCD (0.65) SCDKDM4EALDH1A1GLAGAA
SCHEMBL244628 0.85 SCD (0.42) SCDNAMPTHDAC1
SCHEMBL244771 0.85 SCD (0.68) SCDKDM4EALDH1A1GLAGAA
SCHEMBL244645 0.84 SCD (0.65) SCDKDM4EALDH1A1GLAGAA
SCHEMBL244879 0.83 PTGDR2 (0.44) SCDHDAC1
SCHEMBL242938 0.81 MAPT (0.41) SCDKDM4EALDH1A1GAAMAPT

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-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

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 1/4885KDM4E 447/4885ALDH1A1 433/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885KDM4E 683/4885ALDH1A1 451/4885

“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.