SCHEMBL4946926

SCHEMBL4946926

CSCCC(NC(=O)C(CCC(=O)O)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(N)CCC(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRB2 P62993 1/20 0.49
F2 P00734 1/20 0.42
DPP4 P27487 1/20 0.41
FAP Q12884 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
CXCL8 P10145 5/20 0.41
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
CAPN1 P07384 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
XIAP P98170 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
SCHEMBL4946938 1.00 GRB2 (0.49) GRB2F2DPP4FAPDPP8
SCHEMBL4946515 0.94 GRB2 (0.47) GRB2CXCL8CAPN1
SCHEMBL4946505 0.94 GRB2 (0.47) GRB2CXCL8CAPN1
SCHEMBL30830432 0.88 FNTA (0.44) GRB2FNTAFNTBXIAP
SCHEMBL30787962 0.87 GRB2 (0.45) GRB2CXCL8CAPN1OPRM1
SCHEMBL30052397 0.86 XIAP (0.48) GRB2F2FNTAFNTBOPRM1
SCHEMBL30185040 0.85 GRB2 (0.45) GRB2F2FNTAFNTBOPRM1
SCHEMBL30591055 0.85 GRB2 (0.45) GRB2F2FNTAFNTBOPRM1
SCHEMBL29641611 0.85 DPP4 (0.55) GRB2F2DPP4FAPDPP8
SCHEMBL29630429 0.84 GRB2 (0.47) GRB2F2FNTAFNTBOPRM1

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 GRB2 321/4885F2 662/4885DPP4 2088/4885

“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.