SCHEMBL6535542

SCHEMBL6535542

O=[N+]([O-])c1ccc(S(=O)(=O)NOCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.58
ALDH1A1 P00352 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 3/20 0.55
CA2 P00918 3/20 0.55
CA12 O43570 2/20 0.55
CA9 Q16790 2/20 0.55
GAA P10253 3/20 0.52
HTT P42858 1/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
CA1 P00915 2/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49

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
SCHEMBL4349161 0.86 AR (0.64) CYP19A1ALDH1A1L3MBTL1KMT2ACA2
SCHEMBL10837819 0.84 KMT2A (0.64) ALDH1A1NPC1RAB9AKMT2ACA2
SCHEMBL7946395 0.81 KMT2A (0.61) KMT2AGAAHTTMAPTMEN1
SCHEMBL24526461 0.80 KMT2A (0.59) L3MBTL1NPC1RAB9AKMT2ACA2
SCHEMBL11441022 0.80 CYP1A2 (0.59) CYP19A1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL18770196 0.80 KMT2A (0.59) ALDH1A1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL14686232 0.79 CYP1A2 (0.67) CYP19A1ALDH1A1KMT2AGAAMEN1
SCHEMBL27956824 0.78 CA2 (0.59) CYP19A1RAB9AKMT2ACA2CA12
SCHEMBL30586133 0.78 AR (0.62) CYP19A1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL4421032 0.78 AR (0.62) CYP19A1ALDH1A1NPC1RAB9AKMT2A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105283458-B Preparation of tert-butyl 4- ((1R,2S,5R) -6- (benzyloxy) -7-oxo-1, 6-diazabicyclo [3.2.1] octane-2-carboxamido) piperidine-1-carboxylate 默沙东公司 2018-05-22 CN claimed
EP-3008069-B1 PREPARATION OF TERT-BUTYL 4-((1R,2S,5R)-6- (BENZYLOXY)-7-0X0-1,6-DIAZABICYCL0[3.2.I]OCTANE-2- CARBOXAMIDO)PIPERIDINE-1-CARBOXYLATE MERCK SHARP & DOHME (US) 2018-01-03 EP claimed
US-9604985-B2 Process for the preparation of chiral tert-butyl 4-((1R,2S,5R)-6(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamido)piperidine-1-carb derivatives and (2S,5R)-7-oxo-N-piperidin-4-yl-6-(sulfoxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide MERCK SHARP & DOHME CORP. (US) 2017-03-28 US claimed
US-20160122350-A1 PROCESS FOR THE PREPARATION OF CHIRAL TERT-BUTYL 4-((1R,2S,5R)-6-(BENZYLOXY)-7-OXO-1,6-DIAZABICYCLO[3.2.1]OCTANE-2-CARBOXAMIDO)PIPERIDINE-1-CARBOXYLATE DERIVATIVES AND (2S,5R)-7-OXO-N-PIPERIDIN-4-YL-6-(SULFOXY)-1,6-DIAZABICYCLO[3.2.1]OCTANE-2-CARBOXAMIDE MERCK SHARP & DOHME CORP. (US) 2016-05-05 US claimed
EP-3008069-A1 PREPARATION OF TERT-BUTYL 4-((1R,2S,5R)-6- (BENZYLOXY)-7-0X0-1,6-DIAZABICYCL0[3.2.I]OCTANE-2- CARBOXAMIDO)PIPERIDINE-1-CARBOXYLATE Merck Sharp & Dohme Corp. (US) 2016-04-20 EP claimed
CN-105283458-A Preparation of tert-butyl 4- ((1R,2S,5R) -6- (benzyloxy) -7-oxo-1, 6-diazabicyclo [3.2.1] octane-2-carboxamido) piperidine-1-carboxylate MERCK SHARP & DOHME 2016-01-27 CN claimed
WO-2014200786-A1 PREPARATION OF TERT-BUTYL 4-((1R,2S,5R)-6- (BENZYLOXY)-7-0X0-1,6-DIAZABICYCL0[3.2.I]OCTANE-2- CARBOXAMIDO)PIPERIDINE-1-CARBOXYLATE MERCK SHARP & DOHME CORP. (US) 2014-12-18 WO claimed
CN-119707784-A Process for preparing amino acid derivatives 株式会社API 2025-03-28 CN disclosed
WO-2025031214-A1 UREA-CONTAINING TRICYCLIC β-LACTAMASE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 成都四面体药物研究有限公司 2025-02-13 WO disclosed
CN-112930338-B Process for preparing amino acid derivatives 株式会社API 2024-12-24 CN disclosed
CN-111943950-B Preparation method of rilibatan 山东安信制药有限公司 2022-03-29 CN disclosed
CN-111072660-B Simple preparation method of rilibatan 新发药业有限公司 2021-05-18 CN disclosed
CN-111943950-A Preparation method of rilibatan 山东安信制药有限公司 2020-11-17 CN disclosed
US-20160122350-A1 PROCESS FOR THE PREPARATION OF CHIRAL TERT-BUTYL 4-((1R,2S,5R)-6-(BENZYLOXY)-7-OXO-1,6-DIAZABICYCLO[3.2.1]OCTANE-2-CARBOXAMIDO)PIPERIDINE-1-CARBOXYLATE DERIVATIVES AND (2S,5R)-7-OXO-N-PIPERIDIN-4-YL-6-(SULFOXY)-1,6-DIAZABICYCLO[3.2.1]OCTANE-2-CARBOXAMIDE MERCK SHARP & DOHME CORP. (US) 2016-05-05 US disclosed
EP-3008069-A1 PREPARATION OF TERT-BUTYL 4-((1R,2S,5R)-6- (BENZYLOXY)-7-0X0-1,6-DIAZABICYCL0[3.2.I]OCTANE-2- CARBOXAMIDO)PIPERIDINE-1-CARBOXYLATE Merck Sharp & Dohme Corp. (US) 2016-04-20 EP disclosed
CN-105283458-A Preparation of tert-butyl 4- ((1R,2S,5R) -6- (benzyloxy) -7-oxo-1, 6-diazabicyclo [3.2.1] octane-2-carboxamido) piperidine-1-carboxylate MERCK SHARP & DOHME 2016-01-27 CN disclosed
WO-2014200786-A1 PREPARATION OF TERT-BUTYL 4-((1R,2S,5R)-6- (BENZYLOXY)-7-0X0-1,6-DIAZABICYCL0[3.2.I]OCTANE-2- CARBOXAMIDO)PIPERIDINE-1-CARBOXYLATE MERCK SHARP & DOHME CORP. (US) 2014-12-18 WO disclosed
EP-1098659-A4 LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS METAPHORE INC (US) 2004-11-24 EP disclosed
EP-1098659-A2 LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS Metaphore, Inc. (US) 2001-05-16 EP disclosed
WO-2000004868-A2 LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS METAPHORE, INC. (US) 2000-02-03 WO 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 (1 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-20160122350-A1 PROCESS FOR THE PREPARATION OF CHIRAL TERT-BUTYL 4-((1R,2S,5R)-6-(BENZYLOXY)-7-OXO-1,6-DIAZABICYCLO[3.2.1]OCTANE-2-CARBOXAMIDO)PIPERIDINE-1-CARBOXYLATE DERIVATIVES AND (2S,5R)-7-OXO-N-PIPERIDIN-4-YL-6-(SULFOXY)-1,6-DIAZABICYCLO[3.2.1]OCTANE-2-CARBOXAMIDE CYP2W1, PGLS, GPKOW CYP19A1 599/4885ALDH1A1 1298/4885L3MBTL1 3042/4885

“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.