SCHEMBL22127899

SCHEMBL22127899

CC(C)OC(=O)[C@@H](N)CCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.57
▸ EPHX2 P34913 1/20 0.42
▸ CASP3 P42574 2/20 0.41
▸ DOT1L Q8TEK3 1/20 0.41
▸ TLR2 O60603 3/20 0.40

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
SCHEMBL22127898 1.00 KMT2A (0.57) KMT2AEPHX2CASP3DOT1LTLR2
SCHEMBL22127752 0.97 KMT2A (0.59) KMT2AEPHX2CASP3DOT1LTLR2
SCHEMBL22127753 0.97 KMT2A (0.59) KMT2AEPHX2CASP3DOT1LTLR2
SCHEMBL22127844 0.90 KMT2A (0.61) KMT2AEPHX2CASP3DOT1LTLR2
SCHEMBL29482638 0.90 KMT2A (0.61) KMT2AEPHX2CASP3DOT1LTLR2
SCHEMBL22127873 0.90 KMT2A (0.61) KMT2AEPHX2CASP3DOT1LTLR2
SCHEMBL30887302 0.87 KMT2A (0.63) KMT2AEPHX2CASP3TLR2
SCHEMBL12972620 0.87 KMT2A (0.63) KMT2AEPHX2CASP3TLR2
SCHEMBL15160784 0.87 KMT2A (0.63) KMT2AEPHX2CASP3TLR2
SCHEMBL14682729 0.87 KMT2A (0.63) KMT2AEPHX2CASP3TLR2

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 9 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
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
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
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
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 (3 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 KMT2A 4439/4885EPHX2 848/4885CASP3 868/4885
US-20210061791-A1 REACTIVE OXYGEN SPECIES SCAVENGERS AND USE FOR TREATING DISEASES GSR, TXNRD2, GPX1 KMT2A 4439/4885EPHX2 848/4885CASP3 868/4885
US-20200199108-A1 PREPARATION AND USE OF REACTIVE OXYGEN SPECIES SCAVENGER GPX1, SOD1, GPX4 KMT2A 4630/4885EPHX2 714/4885CASP3 1197/4885

“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.

Send feedback