SCHEMBL4413818

SCHEMBL4413818

CC(C)(C)OC(=O)[C@H](CS)NS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 15/20 0.49
MMP13 P45452 11/20 0.49
MMP1 P03956 11/20 0.49
MMP3 P08254 10/20 0.49
MMP9 P14780 10/20 0.49
MMP7 P09237 8/20 0.49
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
MMP14 P50281 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP8 P22894 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
NHERF1 O14745 1/20 0.41

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
SCHEMBL4417958 0.87 ALDH1A1 (0.47) MMP2MMP13MMP9CTSLCTSS
SCHEMBL4414191 0.86 MMP2 (0.48) MMP2MMP13MMP1MMP3MMP9
SCHEMBL4414186 0.86 MMP2 (0.48) MMP2MMP13MMP1MMP3MMP9
SCHEMBL8445738 0.83 CTSL (0.67) MMP2MMP13MMP1MMP3MMP9
SCHEMBL8445730 0.81 MMP2 (0.59) MMP2MMP13MMP1MMP3MMP9
SCHEMBL8283236 0.79 MMP2 (0.61) MMP2MMP13MMP1MMP3MMP9
SCHEMBL3615326 0.79 MMP2 (0.61) MMP2MMP13MMP1MMP3MMP9
SCHEMBL1656896 0.79 MMP2 (0.61) MMP2MMP13MMP1MMP3MMP9
SCHEMBL7763738 0.76 MMP2 (0.68) MMP2MMP13MMP1MMP3MMP9
SCHEMBL7867746 0.76 MMP2 (0.68) MMP2MMP13MMP1MMP3MMP9

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 MMP2 555/4885MMP13 549/4885MMP1 249/4885

“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.