SCHEMBL23573302

SCHEMBL23573302

NC(=O)OC1CCC(NC(=O)NC2CCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 12/20 0.57
EPHX2 P34913 8/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP3A4 P08684 1/20 0.57
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL31366709 0.81 EPHX1 (0.56) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL5263263 0.81 EPHX1 (0.41) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL5263260 0.81 EPHX1 (0.41) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL30035740 0.80 EPHX1 (0.59) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL30034737 0.78 EPHX1 (0.52) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL21378960 0.78 POLB (0.48) EPHX1EPHX2ALDH1A1
SCHEMBL15277631 0.77 EPHX1 (0.94) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL15277551 0.77 EPHX1 (0.94) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL11046265 0.77 EPHX1 (0.94) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL11046261 0.77 EPHX1 (0.94) EPHX1EPHX2NPC1RAB9ASMN1; 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 EPHX1 629/4885EPHX2 959/4885NPC1 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.