SCHEMBL25246010

SCHEMBL25246010

COC(=O)C(C)n1cnc2c1c(=O)n(CCO)c(=O)n2C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.58
ADORA2B P29275 3/20 0.50
TNF P01375 4/20 0.48
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
ACHE P22303 1/20 0.47
PDE4A P27815 1/20 0.47
PMP22 Q01453 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL19396095 0.89 TRPA1 (0.59) TRPA1ADORA2BTNFUSP2LMNA
SCHEMBL17609739 0.87 TRPA1 (0.76) TRPA1ADORA2B
SCHEMBL17609740 0.87 TRPA1 (0.76) TRPA1ADORA2B
SCHEMBL17609832 0.85 TRPA1 (0.55) TRPA1
SCHEMBL17609572 0.85 TRPA1 (0.77) TRPA1ADORA2B
SCHEMBL17609737 0.85 TRPA1 (0.77) TRPA1
SCHEMBL17609574 0.85 TRPA1 (0.77) TRPA1ADORA2B
SCHEMBL17609735 0.85 TRPA1 (0.77) TRPA1
SCHEMBL17609868 0.85 TRPA1 (0.61) TRPA1ADORA2B
SCHEMBL17609869 0.85 TRPA1 (0.61) TRPA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452279-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION Metro International Biotech, LLC (US) 2024-10-30 EP disclosed
US-11878994-B1 Compositions for treatment of inflammation METRO INTERNATIONAL BIOTECH, LLC (US) 2024-01-23 US disclosed
WO-2023122190-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION METRO INTERNATIONAL BIOTECH, LLC (US) 2023-06-29 WO disclosed
WO-2023122190-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION METRO INTERNATIONAL BIOTECH, LLC (US) 2023-06-29 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 (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-11878994-B1 Compositions for treatment of inflammation NQO1, NAMPT, MPO TRPA1 4054/4885ADORA2B 1104/4885TNF 21/4885

“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.