SCHEMBL22975018

SCHEMBL22975018

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.44
▸ TLR1 Q15399 2/20 0.44
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ FDFT1 P37268 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ CMA1 P23946 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ PRCP P42785 1/20 0.39
▸ MDM2 Q00987 1/20 0.38
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL22975019 1.00 TLR2 (0.44) TLR2TLR1KMT2AMEN1FDFT1
SCHEMBL22975017 1.00 TLR2 (0.44) TLR2TLR1KMT2AMEN1FDFT1
SCHEMBL22127920 0.93 TLR2 (0.43) TLR2TLR1KMT2AMEN1BACE1
SCHEMBL22127923 0.93 TLR2 (0.43) TLR2TLR1KMT2AMEN1BACE1
SCHEMBL22127922 0.93 TLR2 (0.43) TLR2TLR1KMT2AMEN1BACE1
SCHEMBL23039341 0.92 TLR2 (0.42) TLR2TLR1KMT2AMEN1FDFT1
SCHEMBL23039340 0.92 TLR2 (0.42) TLR2TLR1KMT2AMEN1FDFT1
SCHEMBL23039342 0.92 TLR2 (0.42) TLR2TLR1KMT2AMEN1FDFT1
SCHEMBL29482134 0.91 TLR2 (0.46) TLR2TLR1KMT2AMEN1BACE1
SCHEMBL23039371 0.91 TLR2 (0.46) TLR2TLR1KMT2AMEN1BACE1

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
US-11692008-B2 Preparation and uses of reactive oxygen species scavenger derivatives XWPharma Ltd. (KY) 2023-07-04 — — US disclosed
EP-3668837-B1 PREPARATION AND USES OF REACTIVE OXYGEN SPECIES SCAVENGER DERIVATIVES XWPHARMA LTD (KY) 2022-07-06 — — EP disclosed
US-20210047367-A1 PREPARATION AND USES OF REACTIVE OXYGEN SPECIES SCAVENGER DERIVATIVES XWPharma Ltd. (KY) 2021-02-18 — — 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 (2 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-20210047367-A1 PREPARATION AND USES OF REACTIVE OXYGEN SPECIES SCAVENGER DERIVATIVES AIFM2, GPX1, GPX4 TLR2 1569/4885TLR1 751/4885KMT2A 4408/4885
US-11692008-B2 Preparation and uses of reactive oxygen species scavenger derivatives AIFM2, GPX1, GPX4 TLR2 1569/4885TLR1 751/4885KMT2A 4408/4885

“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.

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