SCHEMBL20456889

SCHEMBL20456889

CC(C)(CON1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 1/20 0.54
GAA P10253 1/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL1563384 0.84 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9GAAMEN1
SCHEMBL20456902 0.82 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9GAAMEN1
SCHEMBL30375313 0.81 GAA (0.53) ALDH1A1CYP1A2CYP2C9GAAMEN1
SCHEMBL2570420 0.81 GAA (0.53) ALDH1A1CYP1A2CYP2C9GAAMEN1
SCHEMBL18026637 0.81 GAA (0.56) ALDH1A1CYP1A2CYP2C9GAAMEN1
SCHEMBL28678791 0.79 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C9GAAMEN1
SCHEMBL22833063 0.77 GAA (0.51) ALDH1A1CYP1A2CYP2C9GAAMEN1
SCHEMBL18652223 0.77 GAA (0.51) ALDH1A1CYP1A2CYP2C9GAAMEN1
Methyl Alcohol SCHEMBL28761646 0.77 GAA (0.51) ALDH1A1CYP1A2CYP2C9GAAMEN1
SCHEMBL30200909 0.76 GAA (0.47) ALDH1A1CYP1A2CYP2C9GAAMEN1

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-11628221-B2 Peptide linker and combination for prodrugs activated by prostate-specific antigen RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-04-18 US disclosed
US-20220088209-A1 PEPTIDE LINKER AND COMBINATION FOR PRODRUGS ACTIVATED BY PROSTATE-SPECIFIC ANTIGEN RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2022-03-24 US disclosed
US-11129901-B2 Peptide-linked ester prodrugs activated by prostate-specific antigen RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-09-28 US disclosed
WO-2018144880-A1 NEW PEPTIDE-LINKED ESTER PRODRUGS ACTIVATED BY PROSTATE-SPECIFIC ANTIGEN RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-08-09 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 (3 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-11628221-B2 Peptide linker and combination for prodrugs activated by prostate-specific antigen KLK3, DNPEP, FOLH1 ALDH1A1 2579/4885CYP1A2 4748/4885CYP2C9 4588/4885
US-20220088209-A1 PEPTIDE LINKER AND COMBINATION FOR PRODRUGS ACTIVATED BY PROSTATE-SPECIFIC ANTIGEN KLK3, DNPEP, FOLH1 ALDH1A1 2579/4885CYP1A2 4748/4885CYP2C9 4588/4885
US-11129901-B2 Peptide-linked ester prodrugs activated by prostate-specific antigen ACP3, KLK3, DNPEP ALDH1A1 2127/4885CYP1A2 4533/4885CYP2C9 4368/4885

“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.