SCHEMBL145018

SCHEMBL145018

CS(=O)(=O)c1cccc(-c2ccc3c[c]sc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.44
NR1H2 P55055 7/20 0.40
NR1H3 Q13133 3/20 0.40
KCNH2 Q12809 4/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
PIK3CD O00329 2/20 0.38
PIK3CG P48736 2/20 0.38
PTGS2 P35354 1/20 0.38
RXRA P19793 1/20 0.38
GRIA2 P42262 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
SYK P43405 1/20 0.37
PDPK1 O15530 1/20 0.37
JAK2 O60674 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
SCHEMBL145195 0.89 NR1H2 (0.41) LIMK1NR1H2NR1H3KCNH2LOXL2
SCHEMBL167172 0.77 PTGS2 (0.46) LIMK1NR1H2NR1H3KCNH2LOXL2
SCHEMBL145602 0.76 PIK3CA (0.42) PIK3CGPIK3CAPI4KAPI4KB
SCHEMBL6243674 0.76 KCNH2 (0.50) LIMK1NR1H2NR1H3KCNH2LOXL2
SCHEMBL165069 0.71 CA2 (0.57) LIMK1NR1H2NR1H3KCNH2LOXL2
SCHEMBL2140712 0.70 PTGS2 (0.53) NR1H2NR1H3KCNH2LOXL2PTGS2
SCHEMBL4600462 0.70 LOXL2 (0.48) LIMK1NR1H2NR1H3KCNH2LOXL2
SCHEMBL3712310 0.69 PI4KA (0.73) LIMK1PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL7650568 0.69 KCNH2 (0.42) LIMK1NR1H2NR1H3KCNH2LOXL2
SCHEMBL21295815 0.69 CYP11B2 (0.54) PIK3CDPIK3CGPIK3CAPI4KAPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611774-B1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-18 EP claimed
US-8759533-B2 Di-azetidinyl diamide as monoacylglcerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US claimed
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US claimed
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-08 US claimed
EP-2611774-B1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-18 EP disclosed
US-8759333-B2 Di-azetidinyl diamide as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-8759533-B2 Di-azetidinyl diamide as monoacylglcerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-20130196969-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
EP-2611774-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-07-10 EP disclosed
WO-2012030907-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-03-08 WO disclosed
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-08 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 (3 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-20130196969-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL LIMK1 4407/4885NR1H2 469/4885NR1H3 805/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL LIMK1 4407/4885NR1H2 469/4885NR1H3 805/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA LIMK1 4068/4885NR1H2 356/4885NR1H3 597/4885

“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.