SCHEMBL4951156

SCHEMBL4951156

CSCCC(NC(=O)C(CCC(=O)O)NC(=O)C1CCCN1C(=O)C1CCCN1)C(=O)NC(CC(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NAA50 Q9GZZ1 1/20 0.43
▸ REN P00797 8/20 0.42
▸ NTSR2 O95665 2/20 0.42
▸ CXCL8 P10145 3/20 0.39
▸ CTSD P07339 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ NTSR1 P30989 1/20 0.38

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
SCHEMBL4951166 1.00 KMT2A (0.44) KMT2AMEN1NAA50RENNTSR2
SCHEMBL30051327 0.86 KMT2A (0.56) KMT2AMEN1REN
SCHEMBL30051232 0.85 KMT2A (0.51) KMT2AMEN1RENNTSR2
SCHEMBL4946515 0.84 GRB2 (0.47) NAA50NTSR2CXCL8NTSR1
SCHEMBL4946505 0.84 GRB2 (0.47) NAA50NTSR2CXCL8NTSR1
SCHEMBL30066756 0.84 NTSR2 (0.46) KMT2ARENNTSR2NTSR1
SCHEMBL29438447 0.83 DPP4 (0.43) KMT2AMEN1REN
SCHEMBL30051566 0.82 MEN1 (0.58) KMT2AMEN1RENCTSDBACE1
SCHEMBL30930555 0.82 CXCL8 (0.49) RENCXCL8NTSR1
SCHEMBL30574235 0.81 DPP4 (0.42) KMT2AMEN1REN

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-7470776-B2 Glycosulfopeptide inhibitors of leukocyte rolling and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2008-12-30 — — US disclosed
US-20070167356-A1 Glycosulfopeptide inhibitors of leukocyte rolling and methods of use thereof CUMMINGS RICHARD D 2007-07-19 — — 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-20070167356-A1 Glycosulfopeptide inhibitors of leukocyte rolling and methods of use thereof SIGLEC7, SIGLEC9, SELL KMT2A 4023/4885MEN1 4852/4885NAA50 4479/4885

“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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