SCHEMBL495975

SCHEMBL495975

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.55
ITGB7 P26010 2/20 0.55
CTSS P25774 3/20 0.53
CTSK P43235 2/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
EPHX2 P34913 1/20 0.52
ACE P12821 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KLK5 Q9Y337 1/20 0.50
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 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
SCHEMBL883397 1.00 ITGA4 (0.55) ITGA4ITGB7CTSSCTSKCTSL
SCHEMBL6988240 1.00 ITGA4 (0.55) ITGA4ITGB7CTSSCTSKCTSL
SCHEMBL6889410 0.96 PPARG (0.55) ITGA4ITGB7CTSSCTSKCTSL
SCHEMBL8387599 0.93 BCL2 (0.56) ITGA4ITGB7CTSLPPARGPPARA
SCHEMBL1221477 0.92 ITGA4 (0.60) ITGA4ITGB7CTSSCTSKCTSL
SCHEMBL1221478 0.92 ITGA4 (0.60) ITGA4ITGB7CTSSCTSKCTSL
SCHEMBL9073546 0.90 SMN1; SMN2 (0.52) ITGA4ITGB7CTSSCTSKCTSL
SCHEMBL26226869 0.89 CTSL (0.51) ITGA4ITGB7CTSSCTSKCTSL
SCHEMBL28629142 0.89 CTSL (0.51) ITGA4ITGB7CTSSCTSKCTSL
SCHEMBL16494897 0.88 PPARA (0.52) ITGA4ITGB7CTSSCTSKCTSL

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
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
EP-1910317-B1 1-AMINO LINKED COMPOUNDS LILLY CO ELI (US) 2013-07-03 EP disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 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 (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-20080207735-A1 1-Amino Linked Compounds DPP4, DPP3, DPP9 ITGA4 2127/4885ITGB7 3979/4885CTSS 1095/4885

“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.