SCHEMBL29918940

SCHEMBL29918940

CC(C)(C)OC(=O)NC1COCc2cc(Br)ccc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
AAK1 Q2M2I8 4/20 0.39
EPHX2 P34913 1/20 0.39
PDE2A O00408 2/20 0.38
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BACE1 P56817 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
USP30 Q70CQ3 1/20 0.35
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 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
SCHEMBL16809886 1.00 GAA (0.45) GAAAAK1EPHX2PDE2ANPC1
SCHEMBL3161721 0.91 GAA (0.45) GAAAAK1EPHX2NPC1RECQL
SCHEMBL31187839 0.86 GAA (0.45) GAAEPHX2PDE2ANFKB1NFKB2
SCHEMBL31187872 0.84 PDE2A (0.54) GAAEPHX2PDE2A
SCHEMBL31136511 0.84 PDE2A (0.54) GAAEPHX2PDE2A
SCHEMBL31187892 0.84 PDE2A (0.54) GAAEPHX2PDE2A
SCHEMBL5269808 0.81 TRPV1 (0.46) GAAAAK1EPHX2NPC1RECQL
SCHEMBL21178364 0.81 TRPV1 (0.46) GAAAAK1EPHX2NPC1RECQL
SCHEMBL8180722 0.81 TRPV1 (0.46) GAAAAK1EPHX2NPC1RECQL
SCHEMBL31055885 0.81 TRPV1 (0.46) GAAAAK1EPHX2NPC1RECQL

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-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2023-02-07 US disclosed
US-20220332705-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2022-10-20 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-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase ABL1, BTK, LYN GAA 1382/4885AAK1 455/4885EPHX2 1900/4885
US-20220332705-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN GAA 1382/4885AAK1 455/4885EPHX2 1900/4885

“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.