SCHEMBL25580209

SCHEMBL25580209

N[C@@](CF)(Cc1cc(F)c(O)cc1F)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 1/20 0.41
BLM P54132 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EGFR P00533 1/20 0.36
CYP1A2 P05177 1/20 0.36
FYN P06241 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
APEX1 P27695 1/20 0.36
ADRA1A P35348 1/20 0.36
PTGS2 P35354 1/20 0.36
MTOR P42345 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL25578564 0.86 KDM4E (0.32) ODC1BLMKDM4EMEN1USP2
SCHEMBL24253165 0.80 CHRNA7 (0.41) ODC1BLMMEN1ALDH1A1KMT2A
SCHEMBL11327906 0.78 TYR (0.43) ODC1BLMMEN1KMT2A
SCHEMBL11327908 0.78 TYR (0.43) ODC1BLMMEN1KMT2A
SCHEMBL31253198 0.78 KDM4E (0.49) ODC1BLMKDM4EMEN1USP2
SCHEMBL22033164 0.78 KDM4E (0.49) ODC1BLMKDM4EMEN1USP2
SCHEMBL11236722 0.76 MAPT (0.37) ODC1BLMKDM4EMEN1USP2
SCHEMBL23963114 0.76 ODC1 (0.44) ODC1BLMKDM4EMEN1USP2
SCHEMBL23963255 0.76 ODC1 (0.44) ODC1BLMKDM4EMEN1USP2
SCHEMBL23963121 0.75 ODC1 (0.38) ODC1BLMKDM4EMEN1USP2

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-20230174460-A1 AFMT ANALOGS AND THEIR USE IN METHODS OF TREATING PARKINSON'S DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-08 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-20230174460-A1 AFMT ANALOGS AND THEIR USE IN METHODS OF TREATING PARKINSON'S DISEASE PARK7, SNCA, RHOT2 ODC1 2130/4885BLM 1837/4885KDM4E 3933/4885

“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.