SCHEMBL24451072

SCHEMBL24451072

CC(C)C(=O)c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ CFTR P13569 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ DBH P09172 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ PDE2A O00408 2/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GSK3B P49841 1/20 0.40

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
SCHEMBL24450663 0.86 MEN1 (0.47) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1033788 0.83 GAA (0.54) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13688467 0.83 CES2 (0.66) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL21725666 0.81 PDE2A (0.54) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL26732909 0.81 KDM4E (0.56) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30450981 0.81 KDM4E (0.56) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29033140 0.81 KDM4E (0.60) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29540816 0.80 MAPT (0.57) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1451777 0.80 MAPT (0.57) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12780275 0.79 PDE2A (0.47) CES2KDM4EALDH1A1HPGDHSD17B10

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-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-26 — — 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-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ADSL, SLC35B2, ADORA1 CES2 2295/4885KDM4E 4057/4885ALDH1A1 136/4885

“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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