SCHEMBL22127966

SCHEMBL22127966

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.47
▸ TLR1 Q15399 2/20 0.47
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ CMA1 P23946 4/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ PRCP P42785 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MDM2 Q00987 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
SCHEMBL22127967 1.00 TLR2 (0.47) TLR2TLR1KMT2AMEN1ITGB3
SCHEMBL22127963 1.00 TLR2 (0.47) TLR2TLR1KMT2AMEN1ITGB3
SCHEMBL22127856 0.98 TLR2 (0.44) TLR2TLR1KMT2AMEN1ITGB3
SCHEMBL22127855 0.98 TLR2 (0.44) TLR2TLR1KMT2AMEN1ITGB3
SCHEMBL22127854 0.98 TLR2 (0.44) TLR2TLR1KMT2AMEN1ITGB3
SCHEMBL22026762 0.92 TLR2 (0.46) TLR2TLR1KMT2AMEN1ITGB3
SCHEMBL22026760 0.92 TLR2 (0.46) TLR2TLR1KMT2AMEN1ITGB3
SCHEMBL22127964 0.92 TLR2 (0.46) TLR2TLR1KMT2AMEN1ITGB3
SCHEMBL22026758 0.92 TLR2 (0.46) TLR2TLR1KMT2AMEN1ITGB3
SCHEMBL29482134 0.91 TLR2 (0.46) TLR2TLR1KMT2AMEN1ITGB3

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 7 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
EP-3679051-B1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER XWPHARMA LTD (KY) 2021-12-29 — — EP disclosed
US-20210061791-A1 REACTIVE OXYGEN SPECIES SCAVENGERS AND USE FOR TREATING DISEASES XWPharma Ltd. (KY) 2021-03-04 — — US disclosed
US-10889572-B2 Reactive oxygen species scavengers and use for treating diseases XW LABORATORIES INC. (KY) 2021-01-12 — — US disclosed
US-20200199108-A1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER XWPharma Ltd. (KY) 2020-06-25 — — 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 (4 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-10889572-B2 Reactive oxygen species scavengers and use for treating diseases GSR, TXNRD2, GPX1 TLR2 3086/4885TLR1 2732/4885KMT2A 4439/4885
US-20210061791-A1 REACTIVE OXYGEN SPECIES SCAVENGERS AND USE FOR TREATING DISEASES GSR, TXNRD2, GPX1 TLR2 3086/4885TLR1 2732/4885KMT2A 4439/4885
US-20200199108-A1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER GPX1, SOD1, GPX4 TLR2 3389/4885TLR1 2285/4885KMT2A 4630/4885
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.

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