SCHEMBL23039356

SCHEMBL23039356

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
SIRT3 Q9NTG7 1/20 0.49
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
FOLH1 Q04609 2/20 0.47
CTSC P53634 1/20 0.47
HTT P42858 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
KLK7 P49862 1/20 0.44
KLK5 Q9Y337 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 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
SCHEMBL23039359 1.00 CA1 (0.51) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL29482151 1.00 CA1 (0.51) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL22127908 1.00 CA1 (0.51) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL23039364 0.97 CA1 (0.55) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL23039366 0.97 CA1 (0.55) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL23039363 0.97 CA1 (0.55) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL22127970 0.92 FOLH1 (0.56) SIRT2SIRT1HTR2CHTR2BFOLH1
SCHEMBL22127969 0.92 FOLH1 (0.56) SIRT2SIRT1HTR2CHTR2BFOLH1
SCHEMBL22127992 0.92 CA2 (0.46) CA1CA2SIRT2SIRT1SIRT3
SCHEMBL22127827 0.92 CA2 (0.46) CA1CA2SIRT2SIRT1SIRT3

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
CN-115475229-A Preparation and use of active oxygen scavenger 凯瑞康宁生物工程(武汉)有限公司 2022-12-16 CN disclosed
CN-111356699-B Preparation and use of active oxygen scavenger 凯瑞康宁生物工程(武汉)有限公司 2022-08-23 CN 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
CN-111356699-A Preparation and use of active oxygen scavenger 凯瑞康宁生物工程(武汉)有限公司 2020-06-30 CN 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 (2 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-20210061791-A1 REACTIVE OXYGEN SPECIES SCAVENGERS AND USE FOR TREATING DISEASES GSR, TXNRD2, GPX1 CA1 2491/4885CA2 1418/4885SIRT2 1528/4885
US-11312703-B2 Reactive oxygen species scavengers and use for treating diseases GSR, TXNRD2, GPX1 CA1 2491/4885CA2 1418/4885SIRT2 1528/4885

“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.