SCHEMBL23760484

SCHEMBL23760484

O=C(C[C@H]1CC[C@H](CN2C(=O)C=CC2=O)CC1)ON1C(=O)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33
HIF1A Q16665 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
LMNA P02545 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL10105716 1.00 ALDH1A1 (0.33) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL12261667 0.86 ALDH1A1 (0.32) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL10168507 0.85 PTGS1 (0.31)
SCHEMBL181744 0.84 ALDH1A1 (0.34) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL45664 0.84 ALDH1A1 (0.34) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL12680320 0.81 ALDH1A1 (0.34) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL9441056 0.81 GSK3B (0.37) GSK3AGSK3BLMNA
SCHEMBL10285978 0.80
SCHEMBL20057032 0.80 MGLL (0.41)
SCHEMBL15991683 0.79 ALDH1A1 (0.31) ALDH1A1CYP1A2HPGDCYP2C19BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210252160-A1 COMPOUNDS, COMPOSITIONS, METHODS, AND USES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS IL-2RX 2021-08-19 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-20210252160-A1 COMPOUNDS, COMPOSITIONS, METHODS, AND USES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS TNFRSF9, EGFR, NGFR ALDH1A1 4499/4885CYP1A2 4745/4885HPGD 3778/4885

“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.