SCHEMBL25902171

SCHEMBL25902171

COC(=O)c1cc(F)c(Br)c(OC2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
EPHX2 P34913 3/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
XDH P47989 1/20 0.40
GFER P55789 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
FUT7 Q11130 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL300017 0.90 KMT2A (0.44) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL25902169 0.84 KMT2A (0.49) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL25902174 0.83 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL25903519 0.82 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL26076212 0.81 EPHX2 (0.41) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL31336127 0.81 EPHX2 (0.41) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL22655542 0.79 KDM4E (0.55) POLBKDM4ELMNAGAANFKB1
SCHEMBL31160144 0.79 PDE5A (0.40) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL29633602 0.79 HSD17B10 (0.45) PDE4DPDE4APDE4BPDE4CEPHX2
SCHEMBL23534443 0.77 NOTUM (0.47) PDE4DPDE4APDE4BPDE4CEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067648-A1 N-OXIDE INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2024-02-29 US disclosed
US-20240067648-A1 N-OXIDE INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2024-02-29 US disclosed
US-11787805-B2 N-oxide inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-10-17 US disclosed
US-11787805-B2 N-oxide inhibitors of NLRP3 inflammasome BioAge Labs, Inc. (US) 2023-10-17 US disclosed
US-20230242528-A1 N-OXIDE INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2023-08-03 US disclosed
US-20230242528-A1 N-OXIDE INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. 2023-08-03 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-20230242528-A1 N-OXIDE INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, NOD1, CASP1 PDE4D 1063/4885PDE4A 438/4885PDE4B 655/4885
US-20240067648-A1 N-OXIDE INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, NOD1, CASP1 PDE4D 1063/4885PDE4A 438/4885PDE4B 655/4885
US-11787805-B2 N-oxide inhibitors of NLRP3 inflammasome NLRP3, NOD1, CASP1 PDE4D 1063/4885PDE4A 438/4885PDE4B 655/4885

“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.