SCHEMBL9851568

SCHEMBL9851568

Cc1ccc(S(=O)(=O)N2CC3(C2)CN(S(=O)(=O)c2ccc(C)cc2)C3)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.63
HTT P42858 2/20 0.61
ALDH1A1 P00352 1/20 0.61
POLB P06746 1/20 0.61
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
GAA P10253 2/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MMP2 P08253 1/20 0.52

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
SCHEMBL16572126 0.93 PKM (0.56) PKMHTTALDH1A1POLBKMT2A
SCHEMBL14149366 0.89 PKM (0.59) PKMHTTALDH1A1POLBKMT2A
SCHEMBL825108 0.88 PKM (0.63) PKMHTTALDH1A1POLBKMT2A
SCHEMBL896463 0.88 PKM (0.54) PKMHTTALDH1A1POLBKMT2A
SCHEMBL18497968 0.88 PKM (0.54) PKMHTTALDH1A1POLBKMT2A
SCHEMBL18396758 0.88 PKM (0.54) PKMHTTALDH1A1POLBKMT2A
SCHEMBL18497930 0.88 PKM (0.54) PKMHTTALDH1A1POLBKMT2A
SCHEMBL18396700 0.87 KMT2A (0.50) PKMHTTALDH1A1POLBKMT2A
SCHEMBL15751296 0.86 PKM (0.61) PKMHTTALDH1A1POLBKMT2A
SCHEMBL21060157 0.86 PKM (0.53) PKMHTTALDH1A1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139593-B2 Azetidine compounds, compositions and methods of use HOFFMANN-LA ROCHE INC. (US) 2015-09-22 US claimed
US-20140323462-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFMANN-LA ROCHE AG (CH) 2014-10-30 US claimed
EP-2773644-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 EP claimed
US-8809552-B2 Azetidine compounds, compositions and methods of use HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US claimed
WO-2013064467-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 WO claimed
US-20130109668-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US claimed
EP-2773644-B1 AZETIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE HOFFMANN LA ROCHE (CH) 2016-05-04 EP disclosed
US-9139593-B2 Azetidine compounds, compositions and methods of use HOFFMANN-LA ROCHE INC. (US) 2015-09-22 US disclosed
US-20140323462-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFMANN-LA ROCHE AG (CH) 2014-10-30 US disclosed
EP-2773644-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 EP disclosed
US-8809552-B2 Azetidine compounds, compositions and methods of use HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US disclosed
WO-2013064467-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 WO disclosed
US-20130109668-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US disclosed
EP-0417631-A2 Condensed diazepinones, process for their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1991-03-20 EP 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-20140323462-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE EPHX1, EPHX2, HRH2 PKM 3579/4885HTT 3293/4885ALDH1A1 90/4885
US-20130109668-A1 AZETIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE EPHX1, EPHX2, HRH2 PKM 3579/4885HTT 3293/4885ALDH1A1 90/4885

“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.