SCHEMBL29482153

SCHEMBL29482153

CC1(C)CC(NC(=O)[C@H](CCCNC(=O)OCC2c3ccccc3-c3ccccc32)NC(=O)[C@@H]2CCCN2)CC(C)(C)N1O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.40
▸ TLR2 O60603 6/20 0.38
▸ TLR1 Q15399 2/20 0.38
▸ FDFT1 P37268 1/20 0.37
▸ HDAC3 O15379 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC10 Q969S8 2/20 0.34
▸ HDAC11 Q96DB2 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ MDM2 Q00987 2/20 0.34

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
SCHEMBL29482143 0.86 KMT2A (0.48) KMT2ATLR2TLR1HDAC3HDAC1
SCHEMBL22127872 0.84 KMT2A (0.48) KMT2ATLR2TLR1MDM2
SCHEMBL29482173 0.84 TLR2 (0.51) KMT2ATLR2TLR1HDAC1HDAC6
SCHEMBL29653639 0.83 KMT2A (0.50) KMT2ATLR2TLR1HDAC3HDAC1
Hydrochloric Acid SCHEMBL29482139 0.83 KMT2A (0.49) KMT2ATLR2TLR1HDAC3HDAC1
SCHEMBL29482156 0.82 KMT2A (0.48) KMT2ATLR2TLR1
SCHEMBL22127931 0.82 KMT2A (0.46) KMT2ATLR2TLR1
SCHEMBL22127935 0.82 KMT2A (0.46) KMT2ATLR2TLR1
SCHEMBL22127932 0.82 KMT2A (0.46) KMT2ATLR2TLR1
SCHEMBL23039340 0.82 TLR2 (0.42) KMT2ATLR2TLR1FDFT1MDM2

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 4439/4885TLR2 3086/4885TLR1 2732/4885

“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