SCHEMBL7302025

SCHEMBL7302025

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.56
KLK7 P49862 2/20 0.53
KLK5 Q9Y337 2/20 0.53
MAPT P10636 2/20 0.51
SYK P43405 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
SIRT2 Q8IXJ6 2/20 0.47
SIRT1 Q96EB6 2/20 0.47
SIRT3 Q9NTG7 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
PAX8 Q06710 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MGLL Q99685 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL18560008 0.97 KLK7 (0.57) TGM2KLK7KLK5MAPTHDAC1
SCHEMBL13041082 0.97 KLK7 (0.57) TGM2KLK7KLK5MAPTHDAC1
SCHEMBL2028970 0.92 TGM2 (0.62) TGM2HDAC1HDAC2SIRT2SIRT1
SCHEMBL29400674 0.90 MGLL (0.54) TGM2KLK7KLK5MAPTTDP1
SCHEMBL13041077 0.90 MGLL (0.54) TGM2KLK7KLK5MAPTTDP1
SCHEMBL2109929 0.90 MGLL (0.54) TGM2KLK7KLK5MAPTTDP1
SCHEMBL34467666 0.87 TGM2 (0.61) TGM2HDAC1HDAC2SIRT2SIRT1
SCHEMBL12874110 0.87 TGM2 (0.56) TGM2HDAC1HDAC2SIRT2SIRT1
SCHEMBL31519043 0.87 MGLL (0.54) TGM2MAPTTDP1MEN1KMT2A
SCHEMBL12091750 0.86 TGM2 (0.57) TGM2HDAC1HDAC2SIRT2SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
US-20230285598-A1 SULFOXONIUM YLIDE DERIVATIVES AS PROBES FOR CYSTEINE PROTEASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-14 US disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed
US-20090227795-A1 TARGET MOLECULES OF PLADIENOLIDES, COMPOUNDS BINDING TO SUCH TARGET MOLECULES, AND SCREENING METHOD THEREOF EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
EP-0343911-A2 Cycloalkyl-substituted glutaramide diuretic agents Pfizer Limited (GB) 1989-11-29 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-20090227795-A1 TARGET MOLECULES OF PLADIENOLIDES, COMPOUNDS BINDING TO SUCH TARGET MOLECULES, AND SCREENING METHOD THEREOF SF3B3, SF3B2, SF3B1 TGM2 3404/4885KLK7 2140/4885KLK5 3099/4885
US-20230285598-A1 SULFOXONIUM YLIDE DERIVATIVES AS PROBES FOR CYSTEINE PROTEASE CTSZ, CTSF, CTSL TGM2 848/4885KLK7 146/4885KLK5 143/4885

“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.