SCHEMBL4413142

SCHEMBL4413142

CC(C)(C)OC(=O)C(CSSC[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)OC(C)(C)C)NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
RECQL P46063 1/20 0.42
F2 P00734 4/20 0.42
HCRTR1 O43613 1/20 0.41
CASP1 P29466 1/20 0.41
ADAM17 P78536 1/20 0.41
F10 P00742 1/20 0.40
TSHR P16473 1/20 0.40
P2RX7 Q99572 2/20 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
SCHEMBL4413143 1.00 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1RECQLF2
SCHEMBL4411738 0.87 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1F2HCRTR1
SCHEMBL4421321 0.82 ALDH1A1 (0.46) RECQL
SCHEMBL4421322 0.82 ALDH1A1 (0.46) RECQL
SCHEMBL7655323 0.79 ITGAV (0.44) SLC1A3SLC1A2SLC1A1RECQLF2
SCHEMBL7655320 0.79 ITGAV (0.44) SLC1A3SLC1A2SLC1A1RECQLF2
SCHEMBL7401318 0.77 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1F2HCRTR1
SCHEMBL6861761 0.75 P2RX7 (0.45) F2F10P2RX7
SCHEMBL4414191 0.75 MMP2 (0.48) SLC1A3SLC1A2SLC1A1
SCHEMBL4414186 0.75 MMP2 (0.48) SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313737-B1 NOVEL GUANIDINO DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA GMBH (DE) 2009-06-03 EP disclosed
US-7259159-B2 Guanidino derivatives as inhibitors of cell adhesion SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-21 US disclosed
US-20030203896-A1 Novel guanidino derivatives as inhibitors of cell adhesion SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-30 US disclosed
EP-1313737-A1 NOVEL GUANIDINO DERIVATIVES AS INHIBITORS OF CELL ADHESION Aventis Pharma Deutschland GmbH (DE) 2003-05-28 EP disclosed
WO-2002010168-A1 NOVEL GUANIDINO DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-02-07 WO disclosed
EP-1176145-A1 Novel guanidino derivatives as inhibitors of cell adhesion Aventis Pharma Deutschland GmbH (DE) 2002-01-30 EP 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-20030203896-A1 Novel guanidino derivatives as inhibitors of cell adhesion ADGRF1, VCAM1, ADGRE5 SLC1A3 2586/4885SLC1A2 2922/4885SLC1A1 2545/4885

“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.