SCHEMBL21206343

SCHEMBL21206343

CNC(=O)[C@H](CCCCNC(=O)C(C)(C)C)NC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 2/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.40
▸ GRIA1 P42261 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ MMP1 P03956 7/20 0.37
▸ MMP3 P08254 7/20 0.37
▸ MMP9 P14780 4/20 0.37
▸ TGM2 P21980 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MMP8 P22894 1/20 0.35
▸ FOLH1 Q04609 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ CA1 P00915 1/20 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
SCHEMBL25564681 0.86 SIRT6 (0.39) SIRT1SIRT6GRIA1POLBTGM2
SCHEMBL13671361 0.84 POLB (0.41) SIRT1SIRT6GRIA1POLBTGM2
SCHEMBL28670837 0.84 FOLH1 (0.50) POLBTGM2FOLH1SMN1; SMN2
SCHEMBL28670835 0.84 FOLH1 (0.50) POLBTGM2FOLH1SMN1; SMN2
SCHEMBL13660692 0.78 POLB (0.44) POLBTGM2KDM4EMAPTFOLH1
SCHEMBL4567600 0.76 SIRT1 (0.56) SIRT1SIRT6KDM4EFOLH1ALDH1A1
SCHEMBL21303704 0.76 SIRT1 (0.56) SIRT1SIRT6KDM4EFOLH1ALDH1A1
SCHEMBL19115851 0.76 SIRT1 (0.42) SIRT1SIRT6MMP1MMP3MMP8
SCHEMBL18622113 0.75 POLB (0.57) POLBKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL19546066 0.75 MEN1 (0.54) POLBMMP1MMP3MMP9MAPT

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
US-20230147312-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN GLYCOMIMETICS, INC. (US) 2023-05-11 — — US disclosed
US-20220220144-A1 MULTIMERIC PAN-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2022-07-14 — — US disclosed
US-20190233458-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2019-08-01 — — 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-20190233458-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS SELE, SELP, SELPLG SIRT1 1160/4885SIRT6 1854/4885GRIA1 1698/4885
US-20220220144-A1 MULTIMERIC PAN-SELECTIN ANTAGONISTS SELE, SELP, BSG SIRT1 2238/4885SIRT6 3392/4885GRIA1 764/4885
US-20230147312-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN SELP, SELE, SELPLG SIRT1 976/4885SIRT6 1849/4885GRIA1 1354/4885

“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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