SCHEMBL23490103

SCHEMBL23490103

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ TRPC5 Q9UL62 4/20 0.36
▸ KDM5A P29375 2/20 0.36
▸ TIPARP Q7Z3E1 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NAMPT P43490 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
SCHEMBL23490112 0.91 POLB (0.40) POLBALDH1A1EPHX2TRPC5TIPARP
SCHEMBL23489900 0.90 POLB (0.41) POLBALDH1A1TRPC5TIPARPKDM4E
SCHEMBL23490398 0.89 POLB (0.40) POLBALDH1A1TRPC5TIPARPKDM4E
SCHEMBL23490143 0.89 POLB (0.40) POLBALDH1A1EPHX2TRPC5KDM5A
SCHEMBL23490096 0.88 ROCK2 (0.43) POLBALDH1A1TRPC5KDM5ATIPARP
SCHEMBL23490097 0.88 ROCK2 (0.43) POLBALDH1A1TRPC5KDM5ATIPARP
SCHEMBL23490330 0.88 POLB (0.42) POLBALDH1A1TRPC5TIPARPKDM4E
SCHEMBL23490005 0.87 TIPARP (0.40) POLBALDH1A1TRPC5KDM5ATIPARP
SCHEMBL23490491 0.87 POLB (0.42) POLBALDH1A1TRPC5TIPARP
SCHEMBL23573308 0.86 POLB (0.48) POLBALDH1A1TRPC5TIPARP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12509444-B2 Compounds and methods for CD73 modulation and indications therefor PLEXXIKON INC. (US) 2025-12-30 — — US disclosed
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 (2 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 POLB 1763/4885ALDH1A1 216/4885EPHX2 959/4885
US-12509444-B2 Compounds and methods for CD73 modulation and indications therefor ENTPD5, ADORA1, ADORA2A POLB 2540/4885ALDH1A1 114/4885EPHX2 944/4885

“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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