SCHEMBL25578564

SCHEMBL25578564

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EGFR P00533 1/20 0.32
CYP1A2 P05177 1/20 0.32
FYN P06241 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
APEX1 P27695 1/20 0.32
ADRA1A P35348 1/20 0.32
PTGS2 P35354 1/20 0.32
MTOR P42345 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
CASP6 P55212 1/20 0.32

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
SCHEMBL25580209 0.86 ODC1 (0.41) KDM4EMEN1USP2ALDH1A1EGFR
SCHEMBL25578514 0.81 CHRNA7 (0.40) ALDH1A1BLM
SCHEMBL25578502 0.79 KDM4E (0.44) KDM4EMEN1USP2ALDH1A1EGFR
SCHEMBL25578568 0.76 MEP1B (0.37) KDM4EMEN1USP2ALDH1A1EGFR
SCHEMBL25578556 0.76 KDM4E (0.32) KDM4EMEN1USP2ALDH1A1EGFR
SCHEMBL25578925 0.75 TAAR1 (0.42) ODC1
SCHEMBL25578506 0.71 KDM4E (0.56) KDM4EMEN1USP2ALDH1A1EGFR
SCHEMBL12044545 0.68 ESR1 (0.41) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL13087006 0.68 TDP1 (0.57) KDM4EMEN1USP2ALDH1A1EGFR
SCHEMBL11394224 0.68 TDP1 (0.57) KDM4EMEN1USP2ALDH1A1EGFR

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 KDM4E 3933/4885MEN1 2286/4885USP2 3016/4885

“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.