SCHEMBL4417958

SCHEMBL4417958

CC(C)(C)OC(=O)[C@H](CS)NS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
NPR3 P17342 1/20 0.45
MMP2 P08253 6/20 0.44
MMP9 P14780 6/20 0.44
ITGA4 P13612 2/20 0.44
ITGB7 P26010 2/20 0.44
ADAMTS4 O75173 5/20 0.43
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PSMB8 P28062 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
SCHEMBL4414181 0.87 NPR3 (0.46) ALDH1A1MAPTNPR3MMP2MMP9
SCHEMBL4413818 0.87 MMP2 (0.49) ALDH1A1MMP2MMP9CTSLCTSS
SCHEMBL7215717 0.86 ALDH1A1 (0.47) ALDH1A1MAPTNPR3MMP2MMP9
SCHEMBL7215705 0.86 ALDH1A1 (0.47) ALDH1A1MAPTNPR3MMP2MMP9
SCHEMBL31064911 0.86 POLB (0.50) ALDH1A1MAPTMMP2MMP9ADAMTS4
SCHEMBL4421322 0.85 ALDH1A1 (0.46) ALDH1A1MAPTNPR3MMP2MMP9
Hydrochloric Acid SCHEMBL6504666 0.85 ALDH1A1 (0.46) ALDH1A1MAPTNPR3MMP2MMP9
Hydrochloric Acid SCHEMBL6495647 0.85 ALDH1A1 (0.46) ALDH1A1MAPTNPR3MMP2MMP9
SCHEMBL4421321 0.85 ALDH1A1 (0.46) ALDH1A1MAPTNPR3MMP2MMP9
SCHEMBL6624164 0.84 MMP9 (0.59) ALDH1A1MAPTNPR3MMP2MMP9

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 ALDH1A1 2768/4885MAPT 4183/4885NPR3 211/4885

“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.