SCHEMBL22128002

SCHEMBL22128002

COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)C1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
ABCB1 P08183 1/20 0.56
FAP Q12884 1/20 0.52
KLK7 P49862 2/20 0.52
KLK5 Q9Y337 2/20 0.52
PRCP P42785 1/20 0.51
DPP4 P27487 1/20 0.50
DPP8 Q6V1X1 1/20 0.50
DPP9 Q86TI2 1/20 0.50
DPP7 Q9UHL4 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CMA1 P23946 2/20 0.49
MAPT P10636 1/20 0.49
CTRB1 P17538 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47

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
SCHEMBL22128003 1.00 ITGB3 (0.57) ITGB3ITGA2BABCB1FAPKLK7
SCHEMBL22128005 1.00 ITGB3 (0.57) ITGB3ITGA2BABCB1FAPKLK7
SCHEMBL22127953 0.98 ITGB3 (0.54) ITGB3ITGA2BABCB1FAPKLK7
SCHEMBL22127840 0.98 ITGB3 (0.54) ITGB3ITGA2BABCB1FAPKLK7
SCHEMBL22127842 0.98 ITGB3 (0.54) ITGB3ITGA2BABCB1FAPKLK7
SCHEMBL10909410 0.91 ITGB3 (0.56) ITGB3ITGA2BABCB1FAPKLK7
SCHEMBL22127878 0.90 CMA1 (0.50) ITGB3ITGA2BABCB1FAPPRCP
SCHEMBL22127876 0.90 CMA1 (0.50) ITGB3ITGA2BABCB1FAPPRCP
SCHEMBL22127758 0.90 CMA1 (0.50) ITGB3ITGA2BABCB1FAPPRCP
SCHEMBL22127757 0.90 CMA1 (0.50) ITGB3ITGA2BABCB1FAPPRCP

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 ITGB3 4306/4885ITGA2B 3780/4885ABCB1 1250/4885
US-20210061791-A1 REACTIVE OXYGEN SPECIES SCAVENGERS AND USE FOR TREATING DISEASES GSR, TXNRD2, GPX1 ITGB3 4306/4885ITGA2B 3780/4885ABCB1 1250/4885
US-20200199108-A1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER GPX1, SOD1, GPX4 ITGB3 4136/4885ITGA2B 3243/4885ABCB1 1706/4885
US-11312703-B2 Reactive oxygen species scavengers and use for treating diseases GSR, TXNRD2, GPX1 ITGB3 4306/4885ITGA2B 3780/4885ABCB1 1250/4885

“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.