SCHEMBL21025835

SCHEMBL21025835

CCC(=O)COCCCOCCCOc1ccc([C@@H](C)NC(C)S)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 12/20 0.44
▸ ACACA Q13085 8/20 0.44
▸ PLA2G4B P0C869 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ LMNA P02545 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
SCHEMBL21341632 0.90 ACACB (0.46) ACACBACACAPLA2G4BHPGDLMNA
SCHEMBL21906681 0.87 ACACB (0.40) ACACBACACAHPGDLMNA
SCHEMBL20372470 0.86 ACACB (0.46) ACACBACACAPLA2G4BHPGDLMNA
SCHEMBL24788112 0.85 ACACB (0.46) ACACBACACAPLA2G4BHPGDLMNA
SCHEMBL21214833 0.82 PLA2G4B (0.44) ACACBPLA2G4B
SCHEMBL23350266 0.82 PLA2G4B (0.44) ACACBPLA2G4B
SCHEMBL20325827 0.78 ACACB (0.44) ACACBACACAHPGDLMNA
SCHEMBL21664495 0.78 PLA2G4B (0.44) ACACBPLA2G4BLMNA
SCHEMBL21025837 0.77 MEN1 (0.39) ACACBACACAPLA2G4B
SCHEMBL21025856 0.77 PLA2G4B (0.37) PLA2G4BLMNA

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-20210220475-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-07-22 — — US disclosed
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2021-07-20 — — US disclosed
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2019-05-23 — — 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 (3 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-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 ACACB 3411/4885ACACA 3181/4885PLA2G4B 2402/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 ACACB 3411/4885ACACA 3181/4885PLA2G4B 2402/4885
US-20210220475-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE TBK1, EGFR, CBL ACACB 2080/4885ACACA 2089/4885PLA2G4B 2260/4885

“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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