SCHEMBL23573274

SCHEMBL23573274

C[C@@H](O)C(=O)N1CCC(NC(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.49
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ROCK2 O75116 1/20 0.42
CYP3A4 P08684 1/20 0.42
EPHX1 P07099 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CYP2D6 P10635 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL23573275 1.00 EPHX2 (0.49) EPHX2ALDH1A1MEN1KMT2AROCK2
SCHEMBL23573559 1.00 EPHX2 (0.49) EPHX2ALDH1A1MEN1KMT2AROCK2
SCHEMBL23573294 0.87 EPHX2 (0.51) EPHX2ALDH1A1MEN1KMT2AEPHX1
SCHEMBL18562931 0.81 ROCK2 (0.44) EPHX2ALDH1A1MEN1KMT2AROCK2
SCHEMBL18508520 0.81 ROCK2 (0.44) EPHX2ALDH1A1MEN1KMT2AROCK2
SCHEMBL16343831 0.81 EPHX2 (0.72) EPHX2
SCHEMBL19408793 0.80 CA1 (0.46) EPHX2ALDH1A1KMT2A
SCHEMBL6539120 0.77 EPHX2 (0.65) EPHX2EPHX1
SCHEMBL3318469 0.77 MEN1 (0.48) EPHX2ALDH1A1MEN1KMT2AROCK2
SCHEMBL853826 0.76 MEN1 (0.51) EPHX2ALDH1A1MEN1KMT2AEPHX1

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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-07-01 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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ADORA2A, ENTPD1 EPHX2 959/4885ALDH1A1 216/4885MEN1 1145/4885

“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.