SCHEMBL567448

SCHEMBL567448

CS(=O)(=O)OC[C@H]1COc2ccc(F)cc2O1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.52
FFAR1 O14842 7/20 0.48
DRD2 P14416 1/20 0.45
ALOX5 P09917 3/20 0.42
HTR6 P50406 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
LTA4H P09960 1/20 0.39
MTNR1A P48039 1/20 0.38

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
SCHEMBL9375647 0.84 CA2 (0.58) CA2FFAR1DRD2
SCHEMBL1043747 0.84 CA2 (0.47) CA2FFAR1DRD2ALOX5HTR6
SCHEMBL1872709 0.84 CA2 (0.47) CA2FFAR1DRD2ALOX5HTR6
SCHEMBL6740016 0.82 FFAR1 (0.51) CA2FFAR1DRD2HTR6MTNR1A
SCHEMBL7982000 0.82 CA2 (0.55) CA2L3MBTL1MAPK1MTNR1A
SCHEMBL1545420 0.82 CA2 (0.55) CA2L3MBTL1MAPK1MTNR1A
SCHEMBL2544576 0.82 CA2 (0.55) CA2L3MBTL1MAPK1MTNR1A
SCHEMBL17272718 0.82 CA2 (0.47) CA2FFAR1DRD2ALOX5HTR6
SCHEMBL15865430 0.82 CA2 (0.47) CA2FFAR1DRD2ALOX5HTR6
SCHEMBL566659 0.80 MEN1 (0.50) CA2FFAR1HTR6L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035210-A9 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES ORION CORPORATION (FI) 2012-02-09 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-20120035210-A9 2,3-DIHYDROBENZO(1,4) DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES PMP22, NPY2R, ADRA2C CA2 624/4885FFAR1 1356/4885DRD2 277/4885

“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.