SCHEMBL3787504

SCHEMBL3787504

O=Cc1ccc(S(=O)(=O)c2cccc(Cl)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.51
NFE2L2 Q16236 8/20 0.48
ALDH1A1 P00352 3/20 0.46
NAMPT P43490 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ABCC9 O60706 1/20 0.45
ABCC8 Q09428 1/20 0.45
KCNJ11 Q14654 1/20 0.45
KCNJ8 Q15842 1/20 0.45
AKR1B1 P15121 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
PGR P06401 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
SCHEMBL10974178 0.87 HSD11B1 (0.61) HSD11B1NFE2L2ALDH1A1NAMPTMEN1
SCHEMBL6853554 0.84 CA12 (0.49) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL29408747 0.83 ALDH1A1 (0.67) HSD11B1NFE2L2ALDH1A1MEN1KMT2A
SCHEMBL2035375 0.83 ALDH1A1 (0.67) HSD11B1NFE2L2ALDH1A1MEN1KMT2A
SCHEMBL31435391 0.83 AKR1B1 (0.56) HSD11B1NFE2L2ALDH1A1MEN1KMT2A
SCHEMBL2199161 0.83 AKR1B1 (0.56) HSD11B1NFE2L2ALDH1A1MEN1KMT2A
SCHEMBL3600328 0.83 ALDH1A1 (0.55) HSD11B1ALDH1A1NAMPTMEN1KMT2A
SCHEMBL5631862 0.81 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ACYP3A4MAPK1
SCHEMBL3834491 0.81 HTR6 (0.61) HSD11B1NFE2L2ALDH1A1MEN1KMT2A
SCHEMBL1024421 0.81 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691805-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-04-08 US disclosed
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-09-19 US disclosed
US-20130237517-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-09-12 US disclosed
US-8450303-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-28 US disclosed
US-20100331299-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 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-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA HSD11B1 385/4885NFE2L2 2081/4885ALDH1A1 364/4885
US-20100331299-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA HSD11B1 385/4885NFE2L2 2081/4885ALDH1A1 364/4885
US-20130237517-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA HSD11B1 385/4885NFE2L2 2081/4885ALDH1A1 364/4885

“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.