SCHEMBL20046582

SCHEMBL20046582

C[C@@H]1CN(c2ncc(C(=O)OCc3ccccc3)cn2)C[C@H](C)N1CCCOc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 10/20 0.45
DDB1 Q16531 6/20 0.45
EGFR P00533 3/20 0.40
IRAK4 Q9NWZ3 3/20 0.40
HPGDS O60760 1/20 0.40
BRD9 Q9H8M2 3/20 0.40
LRRK2 Q5S007 1/20 0.39
CDK13 Q14004 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
ERBB3 P21860 1/20 0.38

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
SCHEMBL20046588 0.90 CRBN (0.44) CRBNDDB1EGFRHPGDSBRD9
SCHEMBL20046606 0.81 CRBN (0.48) CRBNDDB1HPGDS
SCHEMBL20046602 0.78 CRBN (0.48) CRBNDDB1HPGDS
SCHEMBL20133129 0.77 CRBN (0.54) CRBNDDB1
SCHEMBL20121022 0.76 CRBN (0.54) CRBNDDB1
SCHEMBL29547337 0.76 CRBN (0.54) CRBNDDB1
SCHEMBL20046443 0.76 CRBN (0.48) CRBNDDB1IRAK4HPGDSLRRK2
SCHEMBL20046581 0.75 JMJD6 (0.42)
SCHEMBL20046833 0.75 CRBN (0.64) CRBNDDB1
SCHEMBL20046264 0.75 CRBN (0.45) CRBNDDB1IRAK4HPGDSLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2023-10-19 US disclosed
US-11236051-B2 Compounds and methods for the targeted degradation of androgen receptor ARVINAS OPERATIONS, INC. (US) 2022-02-01 US disclosed
US-20210171470-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2021-06-10 US disclosed
US-20210040044-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. 2021-02-11 US disclosed
US-20210009528-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. 2021-01-14 US disclosed
US-10844021-B2 Compounds and methods for the targeted degradation of androgen receptor ARVINAS OPERATIONS, INC. (US) 2020-11-24 US disclosed
US-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2018-04-12 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 (7 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-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN CRBN 3/4885DDB1 750/4885EGFR 232/4885
US-20210040044-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN CRBN 3/4885DDB1 746/4885EGFR 242/4885
US-20210171470-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN CRBN 3/4885DDB1 746/4885EGFR 242/4885
US-20210009528-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN CRBN 3/4885DDB1 750/4885EGFR 232/4885
US-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN CRBN 3/4885DDB1 746/4885EGFR 242/4885
US-10844021-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN CRBN 3/4885DDB1 746/4885EGFR 242/4885
US-11236051-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN CRBN 3/4885DDB1 750/4885EGFR 232/4885

“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.