SCHEMBL29482173

SCHEMBL29482173

CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 3/20 0.51
▸ TLR1 Q15399 1/20 0.51
▸ KLK7 P49862 2/20 0.45
▸ KLK5 Q9Y337 2/20 0.45
▸ MDM2 Q00987 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ CXCR3 P49682 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ IDO1 P14902 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
SCHEMBL29653644 0.89 TLR2 (0.52) TLR2TLR1KLK7KLK5MDM2
SCHEMBL23039342 0.87 TLR2 (0.42) TLR2TLR1MDM2KMT2AITGB3
SCHEMBL23039340 0.87 TLR2 (0.42) TLR2TLR1MDM2KMT2AITGB3
SCHEMBL23039341 0.87 TLR2 (0.42) TLR2TLR1MDM2KMT2AITGB3
SCHEMBL29482158 0.84 KMT2A (0.48) TLR2TLR1KMT2A
SCHEMBL29482153 0.84 KMT2A (0.40) TLR2TLR1MDM2KMT2AHDAC1
SCHEMBL3588065 0.83 HDAC1 (0.52) TLR2TLR1KLK7KLK5MDM2
SCHEMBL29482157 0.82 KMT2A (0.53) TLR2TLR1KLK7KLK5MDM2
SCHEMBL25761182 0.82 KMT2A (0.53) TLR2TLR1KLK7KLK5MDM2
SCHEMBL7392221 0.81 MDM2 (0.57) TLR2TLR1KLK7KLK5MDM2

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 2732/4885KLK7 4462/4885

“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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