SCHEMBL3545133

SCHEMBL3545133

CC(C(=O)O)C1CCC(c2ccc(NC(=O)C(=O)NN)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
DGAT1 O75907 1/20 0.46
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
DEGS1 O15121 1/20 0.39
EPHX2 P34913 1/20 0.38
KDM1A O60341 2/20 0.38
MAOA P21397 2/20 0.38
KDM1B Q8NB78 2/20 0.38
RCOR1 Q9UKL0 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
IDO1 P14902 1/20 0.38
NAMPT P43490 1/20 0.37
MITF O75030 1/20 0.36

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
SCHEMBL3547935 0.85 DGAT1 (0.46) DGAT1ALDH1A1HDAC3HDAC11HDAC8
SCHEMBL13009621 0.84 KDM4E (0.45) KDM4EALDH1A1GAAMAPK1HDAC3
SCHEMBL3541484 0.80 NPC1 (0.53) KDM4EDGAT1ALDH1A1GAAMAPK1
SCHEMBL3541478 0.80 NPC1 (0.53) KDM4EDGAT1ALDH1A1GAAMAPK1
SCHEMBL1399622 0.78 NPC1 (0.37) DGAT1ALDH1A1MAPK1MAPT
SCHEMBL1399620 0.78 NPC1 (0.37) DGAT1ALDH1A1MAPK1MAPT
SCHEMBL3539868 0.78 DGAT1 (0.42) DGAT1ALDH1A1HDAC3HDAC11HDAC8
SCHEMBL3543861 0.78 HDAC8 (0.56) KDM4EALDH1A1GAAMAPK1HDAC3
SCHEMBL5327012 0.77 KDM4E (0.47) KDM4EALDH1A1GAAMAPK1HDAC3
SCHEMBL5327017 0.77 KDM4E (0.47) KDM4EALDH1A1GAAMAPK1HDAC3

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 8 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
WO-2008129319-A1 SALTS OF OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2008-10-30 WO 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
EP-1737462-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
WO-2005060969-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 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 KDM4E 3511/4885DGAT1 1/4885ALDH1A1 314/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 KDM4E 3382/4885DGAT1 1/4885ALDH1A1 303/4885

“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.