SCHEMBL23573200

SCHEMBL23573200

C[C@H]1CCCC[C@H]1NC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.60
TAS1R3 Q7RTX0 12/20 0.56
TAS1R1 Q7RTX1 11/20 0.56
TAS1R2 Q8TE23 9/20 0.56
USP2 O75604 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MLYCD O95822 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL23573250 1.00 EPHX1 (0.60) EPHX1TAS1R3TAS1R1TAS1R2USP2
SCHEMBL11085321 1.00 EPHX1 (0.60) EPHX1TAS1R3TAS1R1TAS1R2USP2
SCHEMBL23573438 1.00 EPHX1 (0.60) EPHX1TAS1R3TAS1R1TAS1R2USP2
SCHEMBL23573460 0.95 EPHX1 (0.55) EPHX1TAS1R3TAS1R1TAS1R2USP2
SCHEMBL22287179 0.95 EPHX1 (0.55) EPHX1TAS1R3TAS1R1TAS1R2USP2
SCHEMBL16648601 0.84 EPHX1 (0.81) EPHX1TAS1R3TAS1R1TAS1R2USP2
SCHEMBL8388655 0.83 EPHX1 (0.42) EPHX1TAS1R3TAS1R1TAS1R2USP2
SCHEMBL20959559 0.83 EPHX1 (0.42) EPHX1TAS1R3TAS1R1TAS1R2USP2
SCHEMBL16204597 0.82 EPHX1 (0.60) EPHX1TAS1R3TAS1R1TAS1R2USP2
SCHEMBL13649856 0.82 EPHX1 (0.60) EPHX1TAS1R3TAS1R1TAS1R2USP2

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 EPHX1 629/4885TAS1R3 3215/4885TAS1R1 2614/4885

“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.