SCHEMBL23490002

SCHEMBL23490002

CCOC(=O)NCC(=O)N1CCC(NC(=O)O[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.42
▸ KDM4E B2RXH2 6/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 3/20 0.36
▸ MAPT P10636 2/20 0.35
▸ TRPC5 Q9UL62 3/20 0.35
▸ TSHR P16473 4/20 0.35
▸ GAA P10253 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TIPARP Q7Z3E1 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL23573525 0.92 POLB (0.38) ALDH1A1KDM4EHSD17B10KMT2APOLB
SCHEMBL23573530 0.92 POLB (0.38) ALDH1A1KDM4EHSD17B10KMT2APOLB
SCHEMBL23490005 0.91 TIPARP (0.40) ALDH1A1KDM4EHSD17B10KMT2APOLB
SCHEMBL23489898 0.91 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10KMT2APOLB
SCHEMBL23490003 0.90 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10KMT2APOLB
SCHEMBL23490093 0.90 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10KMT2APOLB
SCHEMBL23490112 0.89 POLB (0.40) ALDH1A1KDM4EHSD17B10KMT2APOLB
SCHEMBL23489888 0.87 POLB (0.41) ALDH1A1KDM4EHSD17B10KMT2APOLB
SCHEMBL23608235 0.87 POLB (0.41) ALDH1A1KDM4EHSD17B10KMT2APOLB
SCHEMBL23489900 0.87 POLB (0.41) ALDH1A1KDM4EHSD17B10KMT2APOLB

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
US-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-07-01 — — US disclosed
WO-2021113625-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2021-06-10 — — WO 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 ALDH1A1 216/4885KDM4E 2880/4885HSD17B10 2865/4885

“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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