SCHEMBL25902203

SCHEMBL25902203

CCOc1cc(C(=O)OC)cc(Cl)c1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
RORC P51449 1/20 0.44
POLB P06746 3/20 0.44
KMT2A Q03164 2/20 0.44
CREBBP Q92793 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
MCL1 Q07820 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 1/20 0.44
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL731013 0.89 LMNA (0.50) LMNAPOLBKMT2ACREBBPMEN1
SCHEMBL732996 0.84 TSHR (0.50) LMNAKMT2ACREBBPNCOA1NCOA3
SCHEMBL20763421 0.84 KMT2A (0.48) LMNAPOLBKMT2AMEN1GAA
SCHEMBL9276266 0.83 LMNA (0.51) LMNAPOLBKMT2ACREBBPGAA
SCHEMBL25902206 0.82 HTT (0.52) LMNAHTTRORCPOLBKMT2A
SCHEMBL8336289 0.82 CA1 (0.52) LMNAHTTPOLBKMT2AMEN1
SCHEMBL1398536 0.81 MEN1 (0.59) LMNARORCPOLBKMT2ACREBBP
SCHEMBL6293600 0.79 LMNA (0.55) LMNAHTTPOLBKMT2AMEN1
Methylamine SCHEMBL5152509 0.79 POLB (0.56) LMNAHTTRORCPOLBKMT2A
SCHEMBL16930354 0.78 ALDH1A1 (0.53) LMNAHTTRORCPOLBKMT2A

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 7 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
WO-2023147468-A1 N-OXIDE INHIBITORS OF NLRP3 INFLAMMASOME BioAge Labs, Inc. (US) 2023-08-03 WO 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 LMNA 407/4885HTT 1393/4885RORC 634/4885
US-20240067648-A1 N-OXIDE INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, NOD1, CASP1 LMNA 407/4885HTT 1393/4885RORC 634/4885
US-11787805-B2 N-oxide inhibitors of NLRP3 inflammasome NLRP3, NOD1, CASP1 LMNA 407/4885HTT 1393/4885RORC 634/4885

“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.