SCHEMBL25660733

SCHEMBL25660733

COCCC(C)(N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.52
ARG1 P05089 2/20 0.47
ARG2 P78540 2/20 0.47
BLM P54132 2/20 0.37
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 2/20 0.34
CYP1A2 P05177 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
EGFR P00533 1/20 0.34
FYN P06241 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
APEX1 P27695 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL31688814 1.00 GGT1 (0.52) GGT1ARG1ARG2BLMALDH1A1
SCHEMBL8687592 0.80 GGT1 (0.65) GGT1ARG1ARG2BLMALDH1A1
Hydrochloric Acid SCHEMBL28755873 0.78 GGT1 (0.41) GGT1ARG1ARG2BLMALDH1A1
SCHEMBL29709600 0.76
SCHEMBL5054085 0.76 ACLY (0.43) ARG1ARG2ALDH1A1CYP1A2ADRA1A
SCHEMBL11337371 0.76 TET2 (0.41) GGT1ARG1ARG2ALDH1A1GAA
SCHEMBL2787473 0.76
SCHEMBL8688802 0.75 ARG2 (0.72) GGT1ARG1ARG2BLMALDH1A1
SCHEMBL2789993 0.75 CYP4F2 (0.41) ARG1ARG2ALDH1A1MEN1CYP1A2
Ammonia Solution, Strong SCHEMBL28055047 0.74 ACLY (0.42) ARG1ARG2ALDH1A1CYP1A2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114729006-A Cyclic peptide compounds having Kras inhibitory activity 中外制药株式会社 2022-07-08 CN claimed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-114729006-A Cyclic peptide compounds having Kras inhibitory activity 中外制药株式会社 2022-07-08 CN disclosed
CN-114652813-A Macrocyclic peptides as immunomodulators 百时美施贵宝公司 2022-06-24 CN disclosed
CN-107108698-B Macrocyclic peptides as immunomodulators 百时美施贵宝公司 2022-04-29 CN 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-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP GGT1 218/4885ARG1 229/4885ARG2 316/4885

“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.