SCHEMBL600826

SCHEMBL600826

CC(C)(C)OC(=O)COC1CCC(c2ccc(O)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.47
ESR2 Q92731 14/20 0.44
ESR1 P03372 6/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
HCRTR2 O43614 2/20 0.41
CYP2D6 P10635 1/20 0.38
HDAC2 Q92769 1/20 0.37

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
SCHEMBL600827 1.00 GPR119 (0.47) GPR119ESR2ESR1CYP3A4CYP2C9
SCHEMBL600740 0.87 GPR119 (0.45) GPR119CYP2C9HCRTR2
SCHEMBL600741 0.87 GPR119 (0.45) GPR119CYP2C9HCRTR2
SCHEMBL10188569 0.83 GPR119 (0.49) GPR119HCRTR2
SCHEMBL601404 0.81 GPR119 (0.45) GPR119HCRTR2
SCHEMBL600744 0.81 GPR119 (0.41) GPR119HCRTR2CYP2D6
SCHEMBL600743 0.81 GPR119 (0.41) GPR119HCRTR2CYP2D6
SCHEMBL601405 0.81 GPR119 (0.45) GPR119HCRTR2
SCHEMBL5531306 0.81 ESR2 (0.53) GPR119ESR2ESR1CYP3A4CYP2C9
SCHEMBL31495268 0.81 CYP11B1 (0.36) GPR119

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-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

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 GPR119 3905/4885ESR2 4767/4885ESR1 4844/4885

“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.