SCHEMBL29482134

SCHEMBL29482134

COC(=O)C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 1/20 0.46
▸ TLR1 Q15399 1/20 0.46
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ CMA1 P23946 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ PRCP P42785 1/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ BACE1 P56817 1/20 0.40

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
SCHEMBL22127855 0.93 TLR2 (0.44) TLR2TLR1KMT2AMEN1CMA1
SCHEMBL22127854 0.93 TLR2 (0.44) TLR2TLR1KMT2AMEN1CMA1
SCHEMBL22127856 0.93 TLR2 (0.44) TLR2TLR1KMT2AMEN1CMA1
SCHEMBL22127955 0.93 TLR2 (0.44) TLR2TLR1KMT2AMEN1CMA1
SCHEMBL22127958 0.93 TLR2 (0.44) TLR2TLR1KMT2AMEN1CMA1
SCHEMBL22127957 0.93 TLR2 (0.44) TLR2TLR1KMT2AMEN1CMA1
SCHEMBL22127891 0.93 MEN1 (0.45) TLR2TLR1KMT2AMEN1CMA1
SCHEMBL22127894 0.93 MEN1 (0.45) TLR2TLR1KMT2AMEN1CMA1
SCHEMBL22127922 0.92 TLR2 (0.43) TLR2TLR1KMT2AMEN1CMA1
SCHEMBL22127920 0.92 TLR2 (0.43) TLR2TLR1KMT2AMEN1CMA1

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
EP-3988561-B1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER XWPHARMA LTD (KY) 2023-06-07 — — EP disclosed
EP-3988561-A1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER XWPharma Ltd. (KY) 2022-04-27 — — EP disclosed
US-11312703-B2 Reactive oxygen species scavengers and use for treating diseases XWPharma Ltd. (KY) 2022-04-26 — — 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-11312703-B2 Reactive oxygen species scavengers and use for treating diseases GSR, TXNRD2, GPX1 TLR2 3086/4885TLR1 2732/4885KMT2A 4439/4885

“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.

Send feedback