SCHEMBL25816756

SCHEMBL25816756

COc1nn(CC(=O)OI)c(=O)c2cc(C(C)C)cn12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.40
TP53 P04637 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 4/20 0.32
POLB P06746 2/20 0.32
THRB P10828 1/20 0.31
TSHR P16473 1/20 0.31
PTGER1 P34995 1/20 0.30

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
SCHEMBL23952019 0.91 NLRP3 (0.43) NLRP3TP53SMN1; SMN2NPC1RAB9A
SCHEMBL23952023 0.88 NLRP3 (0.43) NLRP3TP53SMN1; SMN2MAPTPOLB
SCHEMBL23952013 0.88 KDM4E (0.46) NLRP3SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL25816710 0.87 NLRP3 (0.51) NLRP3TP53SMN1; SMN2NPC1RAB9A
SCHEMBL25816750 0.80 NLRP3 (0.38) NLRP3TP53SMN1; SMN2NPC1RAB9A
SCHEMBL25816762 0.77 NLRP3 (0.36) NLRP3TP53SMN1; SMN2NPC1RAB9A
SCHEMBL23952067 0.76 NLRP3 (0.54) NLRP3TP53KMT2AMAPTTHRB
SCHEMBL25819165 0.75 NLRP3 (0.40) NLRP3NPC1RAB9AKDM4EMEN1
SCHEMBL23952567 0.74 NLRP3 (0.50) NLRP3SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL23952009 0.74 CYP2C19 (0.42) NLRP3SMN1; SMN2KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NLRP3 1/4885TP53 2459/4885SMN1; SMN2 4513/4885

“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.