SCHEMBL11891925

SCHEMBL11891925

C[C@@H](N[S+]([O-])C(C)(C)C)c1cccc(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.38
LRRK2 Q5S007 1/20 0.38
GPR139 Q6DWJ6 1/20 0.37
CNR2 P34972 6/20 0.37
NAMPT P43490 1/20 0.36
ABCC9 O60706 1/20 0.36
KCNJ11 Q14654 1/20 0.36
PFKFB3 Q16875 1/20 0.35
S1PR1 P21453 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
SOS1 Q07889 1/20 0.35
GLA P06280 1/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34

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
SCHEMBL11025676 1.00 CNR1 (0.38) CNR1LRRK2GPR139CNR2NAMPT
SCHEMBL28934713 1.00 CNR1 (0.38) CNR1LRRK2GPR139CNR2NAMPT
SCHEMBL30439393 1.00 CNR1 (0.38) CNR1LRRK2GPR139CNR2NAMPT
SCHEMBL30268869 1.00 CNR1 (0.38) CNR1LRRK2GPR139CNR2NAMPT
SCHEMBL19256231 1.00 CNR1 (0.38) CNR1LRRK2GPR139CNR2NAMPT
SCHEMBL25913244 1.00 CNR1 (0.38) CNR1LRRK2GPR139CNR2NAMPT
SCHEMBL24682843 1.00 CNR1 (0.38) CNR1LRRK2GPR139CNR2NAMPT
SCHEMBL22927646 0.83 HPGDS (0.40) CNR1GPR139CNR2ALDH1A1
SCHEMBL28716544 0.83 HPGDS (0.40) CNR1GPR139CNR2ALDH1A1
SCHEMBL28716543 0.83 HPGDS (0.40) CNR1GPR139CNR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230190747-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2023-06-22 US disclosed
US-20230190747-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2023-06-22 US disclosed
US-20210330671-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2021-10-28 US disclosed
US-20200383982-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2020-12-10 US disclosed
US-20190262338-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2019-08-29 US disclosed
US-20190000845-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2019-01-03 US disclosed
US-9937175-B2 Phenyloxadiazole derivatives as PGDS inhibitors SANOFI (FR) 2018-04-10 US disclosed
US-9937175-B2 Phenyloxadiazole derivatives as PGDS inhibitors SANOFI (FR) 2018-04-10 US disclosed
US-20170231990-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI- AVENTIS (FR) 2017-08-17 US disclosed
US-20170231990-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI- AVENTIS (FR) 2017-08-17 US disclosed
US-9469627-B2 Phenyloxadiazole derivatives as PGDS inhibitors SANOFI (FR) 2016-10-18 US disclosed
US-9469627-B2 Phenyloxadiazole derivatives as PGDS inhibitors SANOFI (FR) 2016-10-18 US disclosed
US-20160039842-A1 OXAZOLO[5,4-C]QUINOLIN-2-ONE COMPOUNDS AS BROMODOMAIN INHIBITORS EPIGENETIX, INC. 2016-02-11 US disclosed
US-20160039842-A1 OXAZOLO[5,4-C]QUINOLIN-2-ONE COMPOUNDS AS BROMODOMAIN INHIBITORS EPIGENETIX, INC. 2016-02-11 US disclosed
US-20160039842-A1 OXAZOLO[5,4-C]QUINOLIN-2-ONE COMPOUNDS AS BROMODOMAIN INHIBITORS EPIGENETIX, INC. 2016-02-11 US disclosed
EP-2486024-B1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2015-04-22 EP disclosed
WO-2014152029-A2 OXAZOLO[5,4-C]QUINOLIN-2-ONE COMPOUNDS AS BROMODOMAIN INHIBITORS EPIGENETIX, INC. (US) 2014-09-25 WO disclosed
US-20120190695-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI (FR) 2012-07-26 US disclosed
US-20120190695-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI (FR) 2012-07-26 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 (8 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-20190000845-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR CNR1 641/4885LRRK2 603/4885GPR139 1055/4885
US-20160039842-A1 OXAZOLO[5,4-C]QUINOLIN-2-ONE COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 CNR1 425/4885LRRK2 766/4885GPR139 3194/4885
US-20200383982-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR CNR1 641/4885LRRK2 603/4885GPR139 1055/4885
US-20190262338-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR CNR1 599/4885LRRK2 607/4885GPR139 1014/4885
US-20120190695-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR CNR1 641/4885LRRK2 603/4885GPR139 1055/4885
US-20230190747-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR CNR1 641/4885LRRK2 603/4885GPR139 1055/4885
US-20210330671-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR CNR1 606/4885LRRK2 586/4885GPR139 1076/4885
US-20170231990-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR CNR1 641/4885LRRK2 603/4885GPR139 1055/4885

“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.