SCHEMBL3029618

SCHEMBL3029618

N[C@@](CCC(=O)OCc1ccccc1)(NC(=O)CCNC(=O)[C@H]1O[C@@H](N2CCC(=O)NC2=O)[C@@H](O)[C@H]1O)C(=O)OCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRKACA P17612 1/20 0.33
▸ ADORA3 P0DMS8 7/20 0.33
▸ ADORA2A P29274 7/20 0.33
▸ ENTPD1 P49961 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ ADORA1 P30542 4/20 0.32
▸ GAA P10253 1/20 0.32
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ AHCY P23526 2/20 0.32
▸ DOT1L Q8TEK3 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ PRCP P42785 1/20 0.31

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
SCHEMBL13211031 0.62 ADORA3 (0.34) ADORA3ADORA2AEPHX2ADORA1MEN1
SCHEMBL17335905 0.59 PRCP (0.53) MEN1KMT2APRCP
SCHEMBL17335904 0.59 PRCP (0.53) MEN1KMT2APRCP
SCHEMBL7659939 0.59 CPB1 (0.49) EPHX2GAAMEN1KMT2A
SCHEMBL2860494 0.59 SMN1; SMN2 (0.58) GAADDB1CRBNMEN1KMT2A
SCHEMBL27482299 0.59 ALDH1A1 (0.51) MEN1KMT2A
SCHEMBL27482300 0.59 ALDH1A1 (0.51) MEN1KMT2A
SCHEMBL7742811 0.58 ALDH1A1 (0.58) MEN1KMT2A
SCHEMBL17335891 0.58 MEN1 (0.43) EPHX2GAAMEN1KMT2APRCP
SCHEMBL18875626 0.58 PRCP (0.59) MEN1KMT2APRCP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2019834-B1 ECTONUCLEOTIDASE INHIBITORS UNIV BONN (DE) 2014-07-09 — — EP disclosed
US-20100204182-A1 ECTONUCLEOTIDASE INHIBITORS RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAT BONN (DE) 2010-08-12 — — 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-20100204182-A1 ECTONUCLEOTIDASE INHIBITORS NT5E, NT5C2, ENTPD1 PRKACA 1691/4885ADORA3 28/4885ADORA2A 32/4885

“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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