SCHEMBL3537758

SCHEMBL3537758

O=C1CCC(c2ccc(NC(=O)O)c(Cl)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.45
MAPK1 P28482 1/20 0.40
JAK3 P52333 1/20 0.39
RAB9A P51151 3/20 0.39
HTT P42858 1/20 0.39
SERPINE1 P05121 3/20 0.38
SMURF2 Q9HAU4 1/20 0.38
SMURF1 Q9HCE7 1/20 0.38
NPC1 O15118 2/20 0.37
DHODH Q02127 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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
SCHEMBL13009693 0.80 NPC1 (0.45) RAB9ANPC1
SCHEMBL3552223 0.78 IKBKE (0.41) MAPK1JAK3HTTSERPINE1SMURF2
SCHEMBL22817119 0.76 ESR2 (0.53) ESR2PDE4APDE4BPDE4CPDE4D
SCHEMBL11149788 0.76 HDAC3 (0.43) MAPK1JAK3RAB9AHTTNPC1
SCHEMBL878961 0.76 CA1 (0.51) JAK3RAB9AHTTSMURF2SMURF1
SCHEMBL21224957 0.75 ESR2 (0.58) ESR2JAK3RAB9ANPC1ALDH1A1
SCHEMBL11840682 0.73 ESR2 (0.46) ESR2SMURF2SMURF1PDE4APDE4B
SCHEMBL3824109 0.72 CA1 (0.48) MAPK1JAK3RAB9ASERPINE1NPC1
SCHEMBL31329660 0.72 ALDH1A1 (0.41) JAK3RAB9AHTTNPC1ALDH1A1
SCHEMBL1506697 0.72 ESR2 (0.49) ESR2ALDH1A1PDE4APDE4BPDE4C

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 ESR2 2111/4885MAPK1 1476/4885JAK3 3420/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 ESR2 2062/4885MAPK1 1429/4885JAK3 3487/4885

“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.