SCHEMBL16322976

SCHEMBL16322976

CC(C)(C)OC(=O)/N=C(\NCCC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
ITGB3 P05106 6/20 0.33
ITGA2B P08514 6/20 0.33
SIRT5 Q9NXA8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL1793511 1.00 MEN1 (0.39) MEN1GAAKMT2ATDP1MAOA
SCHEMBL17234179 1.00 MEN1 (0.39) MEN1GAAKMT2ATDP1MAOA
SCHEMBL5490945 0.91 MEN1 (0.43) MEN1GAAKMT2ATDP1MAOA
SCHEMBL2905985 0.91 MEN1 (0.43) MEN1GAAKMT2ATDP1MAOA
SCHEMBL18262806 0.90 TDP1 (0.44) MEN1GAAKMT2ATDP1MAOA
SCHEMBL12514747 0.90 TDP1 (0.44) MEN1GAAKMT2ATDP1MAOA
SCHEMBL1795152 0.90 TDP1 (0.44) MEN1GAAKMT2ATDP1MAOA
SCHEMBL20122294 0.89 TDP1 (0.47) MEN1GAAKMT2ATDP1MAOA
SCHEMBL20191171 0.89 TDP1 (0.47) MEN1GAAKMT2ATDP1MAOA
SCHEMBL12155283 0.89 TDP1 (0.47) MEN1GAAKMT2ATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12565498-B2 β-lactamase inhibitors and their preparation NINGXIA ACADEMY OF AGRICULTURE AND FORESTRY SCIENCES (CN) 2026-03-03 US disclosed
CN-115151544-B Beta-lactamase inhibitor and preparation thereof 宁夏农林科学院 2024-08-16 CN disclosed
US-20230365561-A1 BETA-LACTAMASE INHIBITORS AND THEIR PREPARATION NINGXIA ACADEMY OF AGRICULTURE AND FORESTRY SCIENCES (CN) 2023-11-16 US disclosed
EP-4146650-A1 BETA-LACTAMASE INHIBITORS AND THEIR PREPARATION Ningxia Academy of Agriculture and Forestry Sciences (CN) 2023-03-15 EP disclosed
CN-115151544-A Beta-lactamase inhibitors and preparation thereof 宁夏农林科学院 2022-10-04 CN disclosed
WO-2022047603-A1 BETA-LACTAMASE INHIBITORS AND THEIR PREPARATION NINGXIA ACADEMY OF AGRICULTURE AND FORESTRY SCIENCES (CN) 2022-03-10 WO disclosed
US-20180371138-A1 AQUEOUS SYNTHESIS AND IN-SITU RAPID SCREENING OF AMPHIPHILIC POLYMERS UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2018-12-27 US disclosed
EP-3390471-A1 AQUEOUS SYNTHESIS AND IN-SITU RAPID SCREENING OF AMPHIPHILIC POLYMERS Universidade De Santiago De Compostela (ES) 2018-10-24 EP disclosed
US-10071975-B2 Macrocyclic amidinourea derivatives, methods of preparation and uses thereof as chitinase inhibitors CYGNET BIOSCIENCES B.V. (CW) 2018-09-11 US disclosed
EP-3010896-B1 NEW MACROCYCLIC AMIDINOUREA DERIVATIVES, METHODS OF PREPARATION AND USES THEREOF AS CHITINASE INHIBITORS CYGNET BIOSCIENCES B V (CW) 2017-11-01 EP disclosed
EP-3010896-B1 NEW MACROCYCLIC AMIDINOUREA DERIVATIVES, METHODS OF PREPARATION AND USES THEREOF AS CHITINASE INHIBITORS CYGNET BIOSCIENCES B V (CW) 2017-11-01 EP disclosed
WO-2017102894-A1 AQUEOUS SYNTHESIS AND IN-SITU RAPID SCREENING OF AMPHIPHILIC POLYMERS UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2017-06-22 WO disclosed
US-20160137617-A1 NEW MACROCYCLIC AMIDINOUREA DERIVATIVES, METHODS OF PREPARATION AND USES THEREOF AS CHITINASE INHIBITORS CYGNET BIOSCIENCES B.V. 2016-05-19 US disclosed
EP-3010896-A1 NEW MACROCYCLIC AMIDINOUREA DERIVATIVES, METHODS OF PREPARATION AND USES THEREOF AS CHITINASE INHIBITORS CYGNET BIOSCIENCES B.V. (CW) 2016-04-27 EP disclosed
US-9234007-B2 RGD mimetic γ-AApeptides and methods of use UNIVERSITY OF SOUTH FLORIDA (US) 2016-01-12 US disclosed
WO-2014202697-A1 NEW MACROCYCLIC AMIDINOUREA DERIVATIVES, METHODS OF PREPARATION AND USES THEREOF AS CHITINASE INHIBITORS BAKKER MEDICAL S.R.L. (IT) 2014-12-24 WO disclosed
WO-2014202697-A1 NEW MACROCYCLIC AMIDINOUREA DERIVATIVES, METHODS OF PREPARATION AND USES THEREOF AS CHITINASE INHIBITORS BAKKER MEDICAL S.R.L. (IT) 2014-12-24 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 (4 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-20160137617-A1 NEW MACROCYCLIC AMIDINOUREA DERIVATIVES, METHODS OF PREPARATION AND USES THEREOF AS CHITINASE INHIBITORS CHIT1, CHIA, ENGASE MEN1 172/4885GAA 75/4885KMT2A 3697/4885
US-10071975-B2 Macrocyclic amidinourea derivatives, methods of preparation and uses thereof as chitinase inhibitors CHIT1, CHIA, PEPD MEN1 185/4885GAA 55/4885KMT2A 3577/4885
US-12565498-B2 β-lactamase inhibitors and their preparation PGLS, MGAM, OSTC MEN1 3421/4885GAA 119/4885KMT2A 2950/4885
US-20230365561-A1 BETA-LACTAMASE INHIBITORS AND THEIR PREPARATION MGAM, LCT, GANAB MEN1 2191/4885GAA 4/4885KMT2A 1197/4885

“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.