SCHEMBL1679591

SCHEMBL1679591

O=C(O)Cc1ccc(OS(=O)(=O)C(F)(F)F)c(C2CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.47
PTGDR2 Q9Y5Y4 10/20 0.42
DRD2 P14416 2/20 0.40
DRD1 P21728 2/20 0.40
DRD4 P21917 2/20 0.40
DRD5 P21918 2/20 0.40
DRD3 P35462 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SELL P14151 1/20 0.38
SELP P16109 1/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
PTGDR Q13258 4/20 0.37
PSEN1 P49768 1/20 0.36

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
SCHEMBL17316577 0.81 PTGDR2 (0.51) PTGDR2MRGPRX4ALDH1A1RXRARXRB
SCHEMBL2731144 0.80 CA5A (0.72) CA5APTGDR2GAAALDH1A1TSHR
SCHEMBL3426928 0.80 CA5A (0.49) CA5APTGDR2GAAALDH1A1TSHR
SCHEMBL2127191 0.79 PPARD (0.52) CA5APTGDR2GAAALDH1A1TSHR
SCHEMBL11906574 0.77 PTGDR2 (0.47) PTGDR2DRD2DRD1DRD4DRD5
SCHEMBL19859286 0.77 PTGDR2 (0.46) PTGDR2DRD2DRD1DRD4DRD5
SCHEMBL1678904 0.75 AKR1C3 (0.43) PTGDR2DRD2DRD1DRD4DRD5
SCHEMBL16056047 0.75 DRD2 (0.40) PTGDR2DRD2DRD1DRD4DRD5
SCHEMBL2469642 0.74 PTGDR2 (0.49) PTGDR2DRD2DRD1DRD4DRD5
SCHEMBL22444937 0.73 DRD2 (0.60) PTGDR2DRD2DRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP 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-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 CA5A 4199/4885PTGDR2 870/4885DRD2 531/4885

“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.