SCHEMBL3540920

SCHEMBL3540920

COC(=O)C(=O)Nc1ccc(C2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
DGAT1 O75907 2/20 0.45
HDAC3 O15379 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C1 Q04828 1/20 0.43
IDO1 P14902 2/20 0.40
NAMPT P43490 1/20 0.40
SOAT1 P35610 1/20 0.39
MITF O75030 1/20 0.39
KLF5 Q13887 1/20 0.39
MCHR1 Q99705 1/20 0.39
DEGS1 O15121 1/20 0.39

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
SCHEMBL3540917 1.00 NPC1 (0.51) NPC1RAB9APDE4APDE4BPDE4C
SCHEMBL3539031 0.89 HDAC3 (0.44) NPC1RAB9ADGAT1HDAC3HDAC11
SCHEMBL3539034 0.89 HDAC3 (0.44) NPC1RAB9ADGAT1HDAC3HDAC11
SCHEMBL3538724 0.83 NAMPT (0.44) NPC1RAB9ADGAT1HDAC3HDAC11
SCHEMBL3538720 0.83 NAMPT (0.44) NPC1RAB9ADGAT1HDAC3HDAC11
SCHEMBL13061614 0.82 NPC1 (0.50) NPC1RAB9APDE4APDE4BPDE4C
SCHEMBL3547935 0.81 DGAT1 (0.46) DGAT1HDAC3HDAC11HDAC8HDAC6
SCHEMBL3541484 0.81 NPC1 (0.53) NPC1RAB9ADGAT1HDAC3HDAC11
SCHEMBL3541478 0.81 NPC1 (0.53) NPC1RAB9ADGAT1HDAC3HDAC11
SCHEMBL5249527 0.81 DGAT1 (0.52) DGAT1SOAT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 NPC1 423/4885RAB9A 2923/4885PDE4A 2383/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 NPC1 399/4885RAB9A 2977/4885PDE4A 2368/4885

“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.