SCHEMBL21025856

SCHEMBL21025856

CCC(=O)COCCCOCCCOc1ccc(NC(C)S)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4B P0C869 3/20 0.37
▸ HCAR3 P49019 3/20 0.36
▸ CYP4F2 P78329 2/20 0.35
▸ CYP4A11 Q02928 2/20 0.35
▸ ABL1 P00519 8/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ MAPT P10636 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
SCHEMBL20325086 0.91 HCAR3 (0.43) PLA2G4BHCAR3CYP4F2CYP4A11ABL1
SCHEMBL21421619 0.83 HCAR3 (0.45) PLA2G4BHCAR3CYP4F2CYP4A11ABL1
SCHEMBL23350266 0.82 PLA2G4B (0.44) PLA2G4B
SCHEMBL21214833 0.82 PLA2G4B (0.44) PLA2G4B
SCHEMBL18592241 0.78 HCAR3 (0.44) HCAR3CYP4F2CYP4A11ABL1HCAR2
SCHEMBL21026311 0.77 KDM4E (0.42) PLA2G4BALDH1A1LMNAMAPT
SCHEMBL21341865 0.77 KDM4E (0.42) PLA2G4BALDH1A1LMNAMAPT
SCHEMBL21025835 0.77 ACACB (0.44) PLA2G4BLMNA
SCHEMBL20330151 0.77 HCAR3 (0.43) HCAR3CYP4F2CYP4A11ABL1
SCHEMBL21664495 0.76 PLA2G4B (0.44) PLA2G4BALDH1A1LMNASMN1; SMN2

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 PLA2G4B 2402/4885HCAR3 2265/4885CYP4F2 4592/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 PLA2G4B 2402/4885HCAR3 2265/4885CYP4F2 4592/4885

“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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