SCHEMBL601405

SCHEMBL601405

CC(C)(C)OC(=O)CO[C@H]1CC[C@H](c2ccc(OS(=O)(=O)C(F)(F)F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.45
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
HCRTR2 O43614 6/20 0.41
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CXCR2 P25025 1/20 0.35
HTR1D P28221 1/20 0.35

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
SCHEMBL601404 1.00 GPR119 (0.45) GPR119DRD2DRD3DRD1DRD4
SCHEMBL10188569 0.89 GPR119 (0.49) GPR119HCRTR2PSEN1PSEN2APH1B
SCHEMBL3669303 0.86 DRD2 (0.47) GPR119DRD2DRD3DRD1DRD4
SCHEMBL3669306 0.86 DRD2 (0.47) GPR119DRD2DRD3DRD1DRD4
SCHEMBL5531169 0.84 DRD2 (0.47) GPR119DRD2DRD3DRD1DRD4
SCHEMBL600741 0.81 GPR119 (0.45) GPR119HCRTR2CYP11B1CYP11B2
SCHEMBL600740 0.81 GPR119 (0.45) GPR119HCRTR2CYP11B1CYP11B2
SCHEMBL600826 0.81 GPR119 (0.47) GPR119HCRTR2
SCHEMBL600827 0.81 GPR119 (0.47) GPR119HCRTR2
SCHEMBL600743 0.78 GPR119 (0.41) GPR119HCRTR2PSEN1PSEN2APH1B

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 2 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-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 3905/4885DRD2 1182/4885DRD3 922/4885

“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.