SCHEMBL865097

SCHEMBL865097

O=S(=O)(Cc1ccccc1)c1cc[c]cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
HSD17B10 Q99714 1/20 0.58
MAPT P10636 3/20 0.56
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
FAAH O00519 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
ELANE P08246 1/20 0.47
PRTN3 P24158 1/20 0.47
PRSS3 P35030 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
DAO P14920 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
PSIP1 O75475 1/20 0.43
LTA4H P09960 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 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
SCHEMBL688500 0.92 MAPT (0.61) TSHRHSD17B10MAPTCA1CA2
Benzylsulfonylbenzene SCHEMBL780337 0.85 TSHR (0.68) TSHRHSD17B10MAPTCA1CA2
Benzylsulfonylbenzene SCHEMBL1877584 0.83 TSHR (0.66) TSHRHSD17B10MAPTCA1CA2
SCHEMBL4612750 0.81 LOX (0.48) TSHRCA1CA2PSIP1MMP13
SCHEMBL4614031 0.79 CA2 (0.50) TSHRHSD17B10CA1CA2FAAH
SCHEMBL28111261 0.77 MLNR (0.43) TSHRHSD17B10MAPTCA1CA2
SCHEMBL21194959 0.77 GAA (0.50) TSHRHSD17B10MAPTCA1CA2
SCHEMBL3097873 0.77 PSEN1 (0.46) TSHRHSD17B10MAPTCA1CA2
SCHEMBL2921402 0.76 TSHR (0.68) TSHRHSD17B10MAPTCA1CA2
SCHEMBL5081823 0.76 TSHR (0.62) TSHRHSD17B10MAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621278-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-07 EP claimed
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US claimed
WO-2012047580-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 WO claimed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 US claimed
EP-2621278-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-07 EP disclosed
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US disclosed
WO-2012047580-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 WO disclosed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 US disclosed
EP-1019378-A4 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2001-09-26 EP disclosed
EP-1019378-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1998000403-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1998-01-08 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-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS LIPG, LIPA, LIPE TSHR 3960/4885HSD17B10 148/4885MAPT 2715/4885

“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.