SCHEMBL469020

SCHEMBL469020

COC(=O)CCOCCC(COCCC(=O)OC)(COCCC(=O)OC)NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
CYP2C9 P11712 1/20 0.42
GAA P10253 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.40
TCF4 P15884 1/20 0.39
CTNNB1 P35222 1/20 0.39
EGFR P00533 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL13656825 0.94 CYP2C9 (0.40) ALDH1A1CYP2C9GAARAB9AKDM4E
SCHEMBL439133 0.93 ALDH1A1 (0.46) ALDH1A1CYP2C9GAARAB9AHPGD
SCHEMBL439090 0.93 CYP2C9 (0.45) ALDH1A1CYP2C9GAARAB9AHPGD
SCHEMBL10107134 0.89 CYP2C9 (0.43) ALDH1A1CYP2C9GAARAB9AHPGD
SCHEMBL12723337 0.88 MAPT (0.42) ALDH1A1CYP2C9GAARAB9AKDM4E
SCHEMBL437779 0.87 ALDH1A1 (0.43) ALDH1A1CYP2C9GAARAB9AKDM4E
SCHEMBL439172 0.87 CYP2C9 (0.41) ALDH1A1CYP2C9GAARAB9AHPGD
SCHEMBL10106985 0.85 MAPT (0.44) ALDH1A1CYP2C9GAARAB9AKDM4E
SCHEMBL437775 0.84 ALDH1A1 (0.45) ALDH1A1CYP2C9GAARAB9AKDM4E
SCHEMBL439736 0.84 ALDH1A1 (0.45) ALDH1A1GAARAB9AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139456-B2 Chelating compounds and immobilized tethered chelators THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-09-22 US disclosed
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 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-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, TTPA, SLC39A7 ALDH1A1 3904/4885CYP2C9 4522/4885GAA 29/4885

“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.