SCHEMBL601774

SCHEMBL601774

CCOC(=O)c1ccc(OC2CCC(C(=O)OC(C)(C)C)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.43
GPR119 Q8TDV5 4/20 0.42
RAB9A P51151 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
PDE4B Q07343 1/20 0.40
HTT P42858 1/20 0.39
CYP19A1 P11511 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPK1 P28482 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
EPHX2 P34913 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
SCHEMBL601775 1.00 DGAT1 (0.43) DGAT1GPR119RAB9AHRH3PDE4B
SCHEMBL602562 0.86 MAPT (0.48) DGAT1GPR119MAPT
SCHEMBL602561 0.86 MAPT (0.48) DGAT1GPR119MAPT
SCHEMBL3346693 0.84 GPR119 (0.62) GPR119HRH3PDE4BMAPTALDH1A1
SCHEMBL796305 0.80 PDE4B (0.46) RAB9AHRH3PDE4BMAPTALDH1A1
SCHEMBL1588694 0.80 GPR119 (0.46) DGAT1GPR119RAB9AHRH3
SCHEMBL5532726 0.80 DGAT1 (0.60) DGAT1GPR119HRH3EPHX2
SCHEMBL15152753 0.80 DGAT1 (0.47) DGAT1GPR119
SCHEMBL15152756 0.80 DGAT1 (0.47) DGAT1GPR119
SCHEMBL13769570 0.80 DGAT1 (0.60) DGAT1GPR119HRH3EPHX2

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-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 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 (1 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-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF OXA1L, CYP11B2, CYP11B1 DGAT1 3495/4885GPR119 3905/4885RAB9A 3120/4885

“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.