SCHEMBL25815377

SCHEMBL25815377

CCC(=O)c1c[nH]c(C(=O)OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 1.00
BAZ2A Q9UIF9 1/20 1.00
ALDH1A1 P00352 8/20 0.69
BRD4 O60885 1/20 0.66
GAA P10253 3/20 0.52
POLB P06746 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 1/20 0.45
SMYD3 Q9H7B4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL29191043 0.87 BAZ2B (0.77) BAZ2BBAZ2AALDH1A1BRD4GAA
SCHEMBL14150292 0.85 BAZ2B (0.73) BAZ2BBAZ2AALDH1A1BRD4GAA
SCHEMBL70354 0.83 BAZ2B (0.71) BAZ2BBAZ2AALDH1A1BRD4GAA
SCHEMBL9147964 0.82 BAZ2B (0.68) BAZ2BBAZ2AALDH1A1BRD4GAA
SCHEMBL9151585 0.82 BAZ2B (0.68) BAZ2BBAZ2AALDH1A1BRD4GAA
SCHEMBL7965196 0.82 BAZ2B (0.68) BAZ2BBAZ2AALDH1A1BRD4GAA
SCHEMBL26015021 0.81 BAZ2B (0.69) BAZ2BBAZ2AALDH1A1BRD4GAA
SCHEMBL1664710 0.80 BAZ2B (0.67) BAZ2BBAZ2AALDH1A1BRD4GAA
SCHEMBL4544324 0.80 BAZ2B (0.67) BAZ2BBAZ2AALDH1A1BRD4GAA
SCHEMBL2221019 0.80 TDP1 (0.67) BAZ2BBAZ2AALDH1A1BRD4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117886734-A Heterocyclic amide compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2024-04-16 CN disclosed
US-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 US disclosed
US-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 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 (1 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-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY NLRP3, NLRP1, IL1B BAZ2B 295/4885BAZ2A 256/4885ALDH1A1 898/4885

“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.