SCHEMBL23573545

SCHEMBL23573545

O=C(O)N[C@H]1CC[C@H](NC(=O)NC2CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.64
EPHX1 P07099 14/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP3A4 P08684 1/20 0.59
POLB P06746 1/20 0.44
MMP2 P08253 1/20 0.42
MMP8 P22894 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.40
MAPT P10636 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
SCHEMBL23573575 1.00 EPHX2 (0.64) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL23573542 1.00 EPHX2 (0.64) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL245467 0.91
SCHEMBL6658887 0.91 EPHX2 (0.50) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL23573480 0.91 EPHX1 (0.77) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL23573581 0.91 EPHX1 (0.77) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL23573479 0.91 EPHX1 (0.77) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11416981 0.88
SCHEMBL9547538 0.88 EPHX2 (0.78) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL27906777 0.83 POLB (0.44) EPHX2EPHX1NPC1RAB9ASMN1; SMN2

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 959/4885EPHX1 629/4885NPC1 1512/4885

“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.