Sugi Predict

Sugi Predict / Compounds / SCHEMBL3538720

SCHEMBL3538720

SCHEMBL3538720

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 5/20 0.44
▸ HDAC3 O15379 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PTPN6 P29350 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ABL1 P00519 1/20 0.35
▸ RIN1 Q13671 1/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ DEGS1 O15121 1/20 0.35
▸ SLC18A3 Q16572 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ IDO1 P14902 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
SCHEMBL3538724 1.00 NAMPT (0.44) NAMPTHDAC3HDAC11HDAC8HDAC6
SCHEMBL3539031 0.88 HDAC3 (0.44) NAMPTHDAC3HDAC11HDAC8HDAC6
SCHEMBL3539034 0.88 HDAC3 (0.44) NAMPTHDAC3HDAC11HDAC8HDAC6
SCHEMBL3541362 0.86 KDM4E (0.44) NAMPTHDAC3HDAC11HDAC8HDAC6
SCHEMBL3541366 0.86 KDM4E (0.44) NAMPTHDAC3HDAC11HDAC8HDAC6
SCHEMBL3540920 0.83 NPC1 (0.51) NAMPTHDAC3HDAC11HDAC8HDAC6
SCHEMBL3540917 0.83 NPC1 (0.51) NAMPTHDAC3HDAC11HDAC8HDAC6
SCHEMBL13247973 0.82 MAPK14 (0.38) NPC1TSHR
SCHEMBL13009671 0.80 NAMPT (0.46) NAMPTNPC1RAB9A
SCHEMBL31488863 0.79 ALDH1A1 (0.50) NAMPTRAB9AALDH1A1

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 9 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-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
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 NAMPT 165/4885HDAC3 256/4885HDAC11 384/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 NAMPT 161/4885HDAC3 187/4885HDAC11 292/4885

“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.