SCHEMBL22127992

SCHEMBL22127992

COC(=O)C(CCCNC(=O)OCc1ccccc1)NC(=O)C(NC(=O)[C@@H]1CCCN1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
ELANE P08246 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
CALCRL Q16602 1/20 0.43
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
CPB1 P15086 1/20 0.42
CPB2 Q96IY4 1/20 0.42
PSMB5 P28074 1/20 0.42
FOLH1 Q04609 1/20 0.42
PTGER4 P35408 2/20 0.42
CTSC P53634 1/20 0.42
CA5A P35218 1/20 0.41

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
SCHEMBL30440174 1.00 CA2 (0.46) CA2CA1ELANESIRT2SIRT1
SCHEMBL22127991 1.00 CA2 (0.46) CA2CA1ELANESIRT2SIRT1
SCHEMBL22127830 1.00 CA2 (0.46) CA2CA1ELANESIRT2SIRT1
SCHEMBL22127833 1.00 CA2 (0.46) CA2CA1ELANESIRT2SIRT1
SCHEMBL22127827 1.00 CA2 (0.46) CA2CA1ELANESIRT2SIRT1
SCHEMBL30439749 0.94 FOLH1 (0.49) ELANESIRT2SIRT1CALCRLHTR2C
SCHEMBL28416904 0.94 FOLH1 (0.49) ELANESIRT2SIRT1CALCRLHTR2C
SCHEMBL28416898 0.94 FOLH1 (0.49) ELANESIRT2SIRT1CALCRLHTR2C
SCHEMBL23039356 0.92 CA1 (0.51) CA2CA1SIRT2SIRT1SIRT3
SCHEMBL23039359 0.92 CA1 (0.51) CA2CA1SIRT2SIRT1SIRT3

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 8 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
CN-106866784-B Targeted mitochondrial antioxidant and preparation method and application thereof 凯瑞康宁生物工程(武汉)有限公司 2021-05-18 CN 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 CA2 1418/4885CA1 2491/4885ELANE 1469/4885
US-20210061791-A1 REACTIVE OXYGEN SPECIES SCAVENGERS AND USE FOR TREATING DISEASES GSR, TXNRD2, GPX1 CA2 1418/4885CA1 2491/4885ELANE 1469/4885
US-20200199108-A1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER GPX1, SOD1, GPX4 CA2 2646/4885CA1 2027/4885ELANE 2286/4885
US-11312703-B2 Reactive oxygen species scavengers and use for treating diseases GSR, TXNRD2, GPX1 CA2 1418/4885CA1 2491/4885ELANE 1469/4885

“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.