SCHEMBL693876

SCHEMBL693876

O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCc2c[c]ccc2C1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.56
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 2/20 0.46
AKR1C3 P42330 3/20 0.44
HDAC1 Q13547 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ESR2 Q92731 1/20 0.41
GAA P10253 2/20 0.41
EPHX2 P34913 2/20 0.41
ATM Q13315 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL1202028 0.83 MEN1 (0.70) MEN1KMT2AALDH1A1AKR1C3SMN1; SMN2
SCHEMBL20046992 0.78 HDAC6 (0.69) HDAC6MEN1KMT2ANAMPTALDH1A1
SCHEMBL3637211 0.76 ALDH1A1 (0.55) HDAC6MEN1KMT2ANAMPTALDH1A1
SCHEMBL693950 0.74 NR1H3 (0.57) MEN1KMT2AMAPT
SCHEMBL20047144 0.74 HDAC6 (0.61) HDAC6MEN1KMT2ANAMPTALDH1A1
SCHEMBL1202077 0.74 ESR1 (0.55) MEN1KMT2AESR2
SCHEMBL17710341 0.73 KMT2A (0.77) MEN1KMT2AALDH1A1AKR1C3SMN1; SMN2
SCHEMBL698015 0.72 HPGD (0.51) MEN1KMT2ANAMPTGAAEPHX2
SCHEMBL3282023 0.72 HDAC6 (0.71) HDAC6AKR1C3PPARGPPARDPPARA
SCHEMBL1264443 0.72 HDAC6 (1.00) HDAC6NAMPTALDH1A1AKR1C3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP claimed
US-8445477-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-21 US claimed
EP-2421823-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP disclosed
US-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2014-08-28 US disclosed
US-8445477-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-21 US disclosed
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 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 (2 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-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA HDAC6 1127/4885MEN1 1953/4885KMT2A 1573/4885
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA HDAC6 1127/4885MEN1 1953/4885KMT2A 1573/4885

“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.