SCHEMBL29482146

SCHEMBL29482146

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

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
EPHX2 P34913 1/20 0.46
CASP3 P42574 2/20 0.41
TLR2 O60603 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 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
SCHEMBL18924161 0.96 KMT2A (0.64) KMT2AEPHX2CASP3TLR2DPP8
SCHEMBL30905448 0.91 KMT2A (0.65) KMT2AEPHX2CASP3TLR2DPP8
SCHEMBL17746951 0.91 KMT2A (0.65) KMT2AEPHX2CASP3TLR2DPP8
SCHEMBL17746952 0.91 KMT2A (0.65) KMT2AEPHX2CASP3TLR2DPP8
SCHEMBL22127844 0.89 KMT2A (0.61) KMT2AEPHX2CASP3TLR2
SCHEMBL22127873 0.89 KMT2A (0.61) KMT2AEPHX2CASP3TLR2
SCHEMBL29482638 0.89 KMT2A (0.61) KMT2AEPHX2CASP3TLR2
SCHEMBL16379394 0.87 KMT2A (0.64) KMT2AEPHX2CASP3TLR2DPP8
SCHEMBL10052316 0.87 KMT2A (0.67) KMT2AEPHX2CASP3DPP8DPP7
SCHEMBL2089280 0.87 KMT2A (0.67) KMT2AEPHX2CASP3DPP8DPP7

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-11312703-B2 Reactive oxygen species scavengers and use for treating diseases GSR, TXNRD2, GPX1 KMT2A 4439/4885EPHX2 848/4885CASP3 868/4885

“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.