SCHEMBL30141848

SCHEMBL30141848

O=C(O)CCC(C(=O)O)N1CCN(C(CCC(=O)O)C(=O)O)CCN(C(CCC(=O)O)C(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 1/20 0.45
TET2 Q6N021 3/20 0.44
KDM4A O75164 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
KDM2A Q9Y2K7 2/20 0.44
TET3 O43151 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL5552004 1.00 CYP1A2 (0.48) CYP1A2CYP2C19TET2KDM4AKDM4C
SCHEMBL31222658 1.00 CYP1A2 (0.48) CYP1A2CYP2C19TET2KDM4AKDM4C
SCHEMBL10305355 0.94 CYP1A2 (0.43) CYP1A2CYP2C19TET2KDM4AKDM4C
SCHEMBL14547871 0.94 CYP1A2 (0.43) CYP1A2CYP2C19TET2KDM4AKDM4C
SCHEMBL10830109 0.91 CYP1A2 (0.45) CYP1A2CYP2C19TET2KDM4AKDM4C
SCHEMBL18752953 0.90 CYP1A2 (0.45) CYP1A2CYP2C19TET2KDM4AKDM4C
SCHEMBL22821452 0.90 CYP1A2 (0.45) CYP1A2CYP2C19TET2KDM4AKDM4C
SCHEMBL28297074 0.90 CYP1A2 (0.43) CYP1A2CYP2C19TET2KDM4AKDM4C
SCHEMBL25137272 0.89 ALB (0.43) CYP1A2CYP2C19TET2KDM4AKDM4C
SCHEMBL21447656 0.89 ALB (0.43) CYP1A2CYP2C19TET2KDM4AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240335453-A1 METALLO-ß-LACTAMASE INHIBITORS UNIVERSITY OF KWAZULU-NATAL (ZA) 2024-10-10 US claimed
US-20240335453-A1 METALLO-ß-LACTAMASE INHIBITORS UNIVERSITY OF KWAZULU-NATAL (ZA) 2024-10-10 US disclosed
EP-4377321-A1 METALLO-?-LACTAMASE INHIBITORS University of KwaZulu-Natal (ZA) 2024-06-05 EP disclosed
WO-2023007325-A1 METALLO-β-LACTAMASE INHIBITORS UNIVERSITY OF KWAZULU-NATAL (ZA) 2023-02-02 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-20240335453-A1 METALLO-ß-LACTAMASE INHIBITORS AOC1, CMBL, MANBA CYP1A2 455/4885CYP2C19 495/4885TET2 711/4885

“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.