SCHEMBL22127779

SCHEMBL22127779

COC(=O)C(CCCNC(=O)OCc1ccccc1)NC(=O)C(NC(=O)C1CCCN1C(=O)[C@H](/C=C/[C@H](CC(C)C)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 13/20 0.52
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
MALT1 Q9UDY8 1/20 0.45
REN P00797 2/20 0.45
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44

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
SCHEMBL22127777 1.00 CMA1 (0.52) CMA1ITGB3ITGA2BMALT1REN
SCHEMBL22127775 1.00 CMA1 (0.52) CMA1ITGB3ITGA2BMALT1REN
SCHEMBL22127929 1.00 CMA1 (0.52) CMA1ITGB3ITGA2BMALT1REN
SCHEMBL22127925 1.00 CMA1 (0.52) CMA1ITGB3ITGA2BMALT1REN
SCHEMBL13323704 1.00 CMA1 (0.52) CMA1ITGB3ITGA2BMALT1REN
SCHEMBL22127976 0.96 CMA1 (0.53) CMA1ITGB3ITGA2BMALT1REN
SCHEMBL22127864 0.96 CMA1 (0.53) CMA1ITGB3ITGA2BMALT1REN
SCHEMBL22127868 0.96 CMA1 (0.53) CMA1ITGB3ITGA2BMALT1REN
SCHEMBL22127865 0.96 CMA1 (0.53) CMA1ITGB3ITGA2BMALT1REN
SCHEMBL22127978 0.96 CMA1 (0.53) CMA1ITGB3ITGA2BMALT1REN

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 CMA1 2018/4885ITGB3 4306/4885ITGA2B 3780/4885
US-20210061791-A1 REACTIVE OXYGEN SPECIES SCAVENGERS AND USE FOR TREATING DISEASES GSR, TXNRD2, GPX1 CMA1 2018/4885ITGB3 4306/4885ITGA2B 3780/4885
US-20200199108-A1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER GPX1, SOD1, GPX4 CMA1 2006/4885ITGB3 4136/4885ITGA2B 3243/4885
US-11312703-B2 Reactive oxygen species scavengers and use for treating diseases GSR, TXNRD2, GPX1 CMA1 2018/4885ITGB3 4306/4885ITGA2B 3780/4885

“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.