SCHEMBL6808615

SCHEMBL6808615

O=S(=O)(Oc1ccc2cc(F)ccc2c1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
CA9 Q16790 1/20 0.42
HTR1D P28221 5/20 0.40
HTR1A P08908 4/20 0.40
HTR1B P28222 4/20 0.40
PPARG P37231 1/20 0.39
CXCR2 P25025 2/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
CXCR1 P25024 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FLT3 P36888 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
SCHEMBL30036529 0.96 CYP1A2 (0.44) HSD11B1CA1CA2CYP1A2CYP2A6
SCHEMBL4056753 0.90 CA1 (0.51) HSD11B1CA1CA2CA9HTR1D
SCHEMBL13933202 0.86 CA1 (0.49) HSD11B1CA1CA2CA9HTR1D
SCHEMBL598333 0.86 CA1 (0.50) HSD11B1CA1CA2CA9HTR1D
SCHEMBL24038160 0.86 CA2 (0.46) HSD11B1CA1CA2CA9HTR1D
SCHEMBL4070714 0.86 CA2 (0.46) HSD11B1CA1CA2CA9HTR1D
SCHEMBL26549554 0.84 CA2 (0.44) HSD11B1CA1CA2CA9HTR1D
SCHEMBL14506101 0.83 HSD11B1 (0.47) HSD11B1CA1CA2CA9HTR1D
SCHEMBL29839512 0.83 CA1 (0.61) HSD11B1CA1CA2CYP1A2CYP2A6
SCHEMBL1713420 0.83 CA1 (0.61) HSD11B1CA1CA2CYP1A2CYP2A6

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-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 US disclosed
EP-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 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-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 HSD11B1 63/4885CA1 3616/4885CA2 2335/4885

“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.