SCHEMBL5010344

SCHEMBL5010344

COC1=C(c2cc(Cl)cc(Cl)c2)SN2C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]12Cc1ccc(Br)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.33
ICAM1 P05362 2/20 0.33
ITGAL P20701 2/20 0.33

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
SCHEMBL4915815 0.81 ITGAL (0.37) ITGB2ICAM1ITGAL
SCHEMBL4912803 0.81 ITGAL (0.37) ITGB2ICAM1ITGAL
SCHEMBL3385514 0.80 ITGAL (0.33) ITGB2ICAM1ITGAL
SCHEMBL4915076 0.78 ITGAL (0.35) ITGB2ICAM1ITGAL
SCHEMBL4638102 0.78 ITGAL (0.35) ITGB2ICAM1ITGAL
SCHEMBL4638944 0.75 ITGAL (0.33) ITGB2ICAM1ITGAL
SCHEMBL4913351 0.75 ITGAL (0.33) ITGB2ICAM1ITGAL
SCHEMBL4637829 0.74 ITGAL (0.38) ITGB2ICAM1ITGAL
SCHEMBL4637459 0.74 ITGAL (0.38) ITGB2ICAM1ITGAL
SCHEMBL14025847 0.74 ITGAL (0.31) ITGB2ICAM1ITGAL

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
EP-1933835-A1 PHARMACEUTICALLY ACTIVE TETRAHYDRO-PYRROLO[1,2-B]ISOTHIAZOLE 1,1-DIOXIDES Novartis AG (CH) 2008-06-25 EP disclosed
WO-2007039616-A1 PHARMACEUTICALLY ACTIVE TETRAHYDRO-PYRROLO[1,2-B]ISOTHIAZOLE 1,1-DIOXIDES NOVARTIS AG (CH) 2007-04-12 WO disclosed