Sugi Predict

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SCHEMBL146953

SCHEMBL146953

CS(=O)(=O)c1cccc(-c2ccc3cc(C(=O)N4CC(N5CC(N6Cc7ccccc7C6=O)C5)C4)sc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.43
▸ KDM5A P29375 1/20 0.36
▸ F10 P00742 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ DPP4 P27487 2/20 0.32
▸ DPP8 Q6V1X1 2/20 0.32
▸ LIPG Q9Y5X9 2/20 0.31
▸ GRIA2 P42262 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ THRB P10828 1/20 0.30
▸ PRMT5 O14744 1/20 0.30
▸ WDR77 Q9BQA1 1/20 0.30

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
SCHEMBL146020 0.94 MGLL (0.43) MGLLKDM5AF10HRH4CA12
SCHEMBL146774 0.89 MGLL (0.48) MGLLKDM5AF10HRH4DPP4
SCHEMBL145938 0.85 MGLL (0.51) MGLLKDM5AF10DPP4DPP8
SCHEMBL145401 0.83 MGLL (0.48) MGLLKDM5AF10HRH4DPP4
SCHEMBL143941 0.82 MGLL (0.49) MGLLKDM5AF10HRH4CA12
SCHEMBL121564 0.80 MGLL (0.51) MGLLKDM5AF10HRH4DPP4
SCHEMBL146497 0.77 MGLL (0.49) MGLLKDM5AF10HRH4DPP4
SCHEMBL143096 0.74 MGLL (0.54) MGLLKDM5ACA12CA1CA2
SCHEMBL121565 0.73 MGLL (0.62) MGLLKDM5AF10L3MBTL1
SCHEMBL145405 0.73 MGLL (0.45) MGLLKDM5A

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 6 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 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
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 MGLL 1/4885KDM5A 2794/4885F10 2160/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885KDM5A 2794/4885F10 2160/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 4/4885KDM5A 1857/4885F10 2206/4885

“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.