SCHEMBL3668486

SCHEMBL3668486

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 15/20 0.49
ESR1 P03372 6/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2D6 P10635 1/20 0.44
HCRTR2 O43614 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL3668487 1.00 ESR2 (0.49) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL10240973 0.86 MRGPRX4 (0.44) CYP2C9FFAR4
SCHEMBL600826 0.80 GPR119 (0.47) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL600827 0.80 GPR119 (0.47) ESR2ESR1CYP3A4CYP2C9CYP2D6
Bicarbonate SCHEMBL6206823 0.78 ESR2 (0.68) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL21482373 0.78 ESR2 (0.53) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL3668448 0.78 NPC1 (0.44) HCRTR2FFAR4
SCHEMBL3669303 0.78 DRD2 (0.47) HCRTR2FFAR4
SCHEMBL3669306 0.78 DRD2 (0.47) HCRTR2FFAR4
SCHEMBL3668450 0.78 NPC1 (0.44) HCRTR2FFAR4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391611-B1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-04-30 EP disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
EP-2391611-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-07 EP 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 ESR2 4767/4885ESR1 4844/4885CYP3A4 274/4885

“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.