SCHEMBL20456895

SCHEMBL20456895

CCC(NC(=O)OC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.44
▸ MME P08473 2/20 0.41
▸ MDM4 O15151 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ IDO1 P14902 2/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ LPAR1 Q92633 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ CASP3 P42574 1/20 0.38
▸ TLR2 O60603 2/20 0.38
▸ ACE P12821 1/20 0.38
▸ CPA1 P15085 1/20 0.38
▸ ACE2 Q9BYF1 1/20 0.38
▸ TDO2 P48775 1/20 0.37

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
SCHEMBL27146697 0.85 MME (0.49) MMEACECPA1ACE2
SCHEMBL27146696 0.85 MME (0.49) MMEACECPA1ACE2
SCHEMBL7305789 0.81 IDO1 (0.47) MDM4TP53IDO1ACE
SCHEMBL29378420 0.81 MDM4 (0.60) MDM4TP53CASP3TLR2
SCHEMBL178787 0.81 MDM4 (0.60) MDM4TP53CASP3TLR2
SCHEMBL30191581 0.81 MDM4 (0.60) MDM4TP53CASP3TLR2
SCHEMBL31675022 0.81 MDM4 (0.60) MDM4TP53CASP3TLR2
SCHEMBL29792126 0.81 MDM4 (0.60) MDM4TP53CASP3TLR2
SCHEMBL29401430 0.81 MDM4 (0.60) MDM4TP53CASP3TLR2
SCHEMBL30353997 0.81 MDM4 (0.60) MDM4TP53CASP3TLR2

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 3 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-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 (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-11628221-B2 Peptide linker and combination for prodrugs activated by prostate-specific antigen KLK3, DNPEP, FOLH1 POLB 3191/4885MME 129/4885MDM4 3065/4885
US-11129901-B2 Peptide-linked ester prodrugs activated by prostate-specific antigen ACP3, KLK3, DNPEP POLB 3585/4885MME 77/4885MDM4 2758/4885

“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.

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