SCHEMBL21137852

SCHEMBL21137852

CCCC(=O)N[C@H]1C(O)C[C@H](COC(=O)[C@H](Cc2ccc(OC(=O)OC(C)(C)C)cc2)NC(=O)OC(C)(C)C)[C@@H](O)[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ ACE P12821 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ CACNA1B Q00975 4/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ CTSS P25774 4/20 0.35
▸ CTSK P43235 4/20 0.35
▸ KLK5 Q9Y337 1/20 0.35
▸ PTPN1 P18031 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
SCHEMBL21058382 0.85 ITGB3 (0.38) KDM1ABACE1ITGB3ITGA2BACE
SCHEMBL21138668 0.85 ITGB3 (0.38) KDM1ABACE1ITGB3ITGA2BACE
SCHEMBL21058353 0.74 ACE (0.48) ACEEPHX2CTSSCTSKKLK5
SCHEMBL29777479 0.74 ACE (0.48) ACEEPHX2CTSSCTSKKLK5
SCHEMBL14343069 0.71 ITGB3 (0.45) KDM1ABACE1ITGB3ITGA2BACE
SCHEMBL14343099 0.71 ITGB3 (0.45) KDM1ABACE1ITGB3ITGA2BACE
SCHEMBL1087185 0.71 ITGB3 (0.65) ITGB3ITGA2BACEHDAC8CTSS
SCHEMBL16909032 0.71 ITGB3 (0.65) ITGB3ITGA2BACEHDAC8CTSS
SCHEMBL14343235 0.71 ITGB3 (0.65) ITGB3ITGA2BACEHDAC8CTSS
SCHEMBL7338573 0.70 KLK5 (0.50) ITGB3ITGA2BACEHDAC8CACNA1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591358-B2 Glucosamine derivatives and pharmaceutical uses thereof Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-02-28 — — US disclosed
US-20190185502-A1 GLUCOSAMINE DERIVATIVES AND PHARMACEUTICAL USES THEREOF RISEN (SUZHOU) PHARMA TECH CO, LTD. (CN) 2019-06-20 — — 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 (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-20190185502-A1 GLUCOSAMINE DERIVATIVES AND PHARMACEUTICAL USES THEREOF OGT, UGGT1, GLA KDM1A 3807/4885BACE1 1624/4885ITGB3 1429/4885
US-11591358-B2 Glucosamine derivatives and pharmaceutical uses thereof OGT, UGGT1, GLA KDM1A 3807/4885BACE1 1624/4885ITGB3 1429/4885

“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.

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