SCHEMBL21025837

SCHEMBL21025837

CCC(=O)COCCCOCCCOc1ccc(C2(NC(C)S)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PLA2G4B P0C869 3/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ ACACB O00763 4/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ACACA Q13085 1/20 0.35
▸ RECQL P46063 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL21341633 0.91 MEN1 (0.43) MEN1KMT2APLA2G4BSLC6A2SLC6A4
SCHEMBL26852465 0.86 MEN1 (0.41) MEN1KMT2APLA2G4BSLC6A2SLC6A4
SCHEMBL21664747 0.85 MEN1 (0.42) MEN1KMT2APLA2G4BSLC6A2SLC6A4
SCHEMBL20231844 0.80 MEN1 (0.41) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL18592236 0.79 MEN1 (0.41) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL23350266 0.78 PLA2G4B (0.44) PLA2G4BACACBTSHRRECQLRARB
SCHEMBL21214833 0.78 PLA2G4B (0.44) PLA2G4BACACBTSHRRECQLRARB
SCHEMBL21025835 0.77 ACACB (0.44) PLA2G4BACACBACACA
SCHEMBL20443421 0.76 MEN1 (0.38) MEN1KMT2APLA2G4BSLC6A2SLC6A4
SCHEMBL20234751 0.76 MEN1 (0.41) MEN1KMT2APLA2G4BSLC6A2SLC6A4

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-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 (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-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 MEN1 2454/4885KMT2A 2039/4885PLA2G4B 2402/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 MEN1 2454/4885KMT2A 2039/4885PLA2G4B 2402/4885

“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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