SCHEMBL602165

SCHEMBL602165

CCOC(=O)c1ccc(C2CC=C(OS(=O)(=O)C(F)(F)F)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.40
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
HTT P42858 1/20 0.38
CYP19A1 P11511 2/20 0.38
RAB9A P51151 1/20 0.38
FDFT1 P37268 1/20 0.38
HPGD P15428 2/20 0.38
RECQL P46063 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
ESR1 P03372 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
ESR2 Q92731 1/20 0.37
CA14 Q9ULX7 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
SCHEMBL16661331 0.85 DRD2 (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3678529 0.85 DRD2 (0.37) DRD2DRD1DRD4DRD5DRD3
SCHEMBL13560702 0.83 DRD2 (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL16787830 0.81 DRD2 (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL13132636 0.80 DRD2 (0.47) DRD2DRD1DRD4DRD5DRD3
SCHEMBL17459560 0.80 DRD2 (0.44) DRD2DRD1DRD4DRD5DRD3
SCHEMBL2754355 0.79 DRD2 (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL31342579 0.78 DRD2 (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10240260 0.77 ESR2 (0.44) HTTCYP19A1RAB9AFDFT1HPGD
SCHEMBL2510120 0.76 TSHR (0.41) HTTRAB9AALDH1A1LMNAKMT2A

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 STS 27/4885DRD2 1182/4885DRD1 1269/4885

“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.