SCHEMBL3539031

SCHEMBL3539031

COC(=O)C(=O)Nc1ccc([C@H]2CC[C@H](C(=O)OC)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NAMPT P43490 1/20 0.40
DEGS1 O15121 1/20 0.39
SLC18A3 Q16572 1/20 0.39
DGAT1 O75907 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
IDO1 P14902 1/20 0.38
MCHR1 Q99705 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
SCHEMBL3539034 1.00 HDAC3 (0.44) HDAC3HDAC11HDAC8HDAC6TSHR
SCHEMBL3540917 0.89 NPC1 (0.51) HDAC3HDAC11HDAC8HDAC6ALDH1A1
SCHEMBL3540920 0.89 NPC1 (0.51) HDAC3HDAC11HDAC8HDAC6ALDH1A1
SCHEMBL3538720 0.88 NAMPT (0.44) HDAC3HDAC11HDAC8HDAC6TSHR
SCHEMBL3538724 0.88 NAMPT (0.44) HDAC3HDAC11HDAC8HDAC6TSHR
SCHEMBL3549945 0.86 KDM4E (0.49) HDAC3HDAC11HDAC8HDAC6TSHR
SCHEMBL3549948 0.86 KDM4E (0.49) HDAC3HDAC11HDAC8HDAC6TSHR
SCHEMBL14113548 0.82 ALDH1A1 (0.56) HDAC3HDAC11HDAC8HDAC6TSHR
SCHEMBL3296229 0.82 ALDH1A1 (0.56) HDAC3HDAC11HDAC8HDAC6TSHR
SCHEMBL3296236 0.82 ALDH1A1 (0.56) HDAC3HDAC11HDAC8HDAC6TSHR

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 7 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
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-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
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 HDAC3 256/4885HDAC11 384/4885HDAC8 1225/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 HDAC3 187/4885HDAC11 292/4885HDAC8 1148/4885

“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.