SCHEMBL7290941

SCHEMBL7290941

O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.71
MMP9 P14780 7/20 0.71
ADAMTS4 O75173 2/20 0.71
POLB P06746 1/20 0.70
ADAMTS5 Q9UNA0 1/20 0.63
ALDH1A1 P00352 1/20 0.63
MAPT P10636 1/20 0.63
MMP1 P03956 1/20 0.63
MMP3 P08254 1/20 0.63
MMP7 P09237 1/20 0.63
MMP13 P45452 1/20 0.63
F2 P00734 3/20 0.60
NPY5R Q15761 1/20 0.59
SLC1A3 P43003 1/20 0.59
SLC1A2 P43004 1/20 0.59
SLC1A1 P43005 1/20 0.59

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
SCHEMBL31086814 1.00 MMP2 (0.71) MMP2MMP9ADAMTS4POLBADAMTS5
SCHEMBL3310154 1.00 MMP2 (0.71) MMP2MMP9ADAMTS4POLBADAMTS5
SCHEMBL5189194 1.00 MMP2 (0.71) MMP2MMP9ADAMTS4POLBADAMTS5
SCHEMBL7299041 0.91 F2 (0.61) MMP2MMP9ADAMTS4POLBADAMTS5
SCHEMBL7298796 0.91 MMP2 (0.70) MMP2MMP9ADAMTS4POLBADAMTS5
SCHEMBL8652246 0.90 ITGB3 (0.61) MMP2MMP9ADAMTS4POLBADAMTS5
SCHEMBL8385428 0.90 ITGB3 (0.61) MMP2MMP9ADAMTS4POLBADAMTS5
SCHEMBL10830549 0.90 F2 (0.58) MMP2MMP9ADAMTS4POLBADAMTS5
SCHEMBL5780617 0.90 F2 (0.61) MMP2MMP9ADAMTS4POLBF2
SCHEMBL10830546 0.90 F2 (0.58) MMP2MMP9ADAMTS4POLBADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0796271-B1 DIPEPTIDE P-AMIDINOBENZYLAMIDES WITH N-TERMINAL SULFONYL OR AMINOSULFONYL RADICALS BASF AG (DE) 2000-02-02 EP disclosed
US-5852051-A Dipeptide p-amidinobenzylamides with N-terminal sulfonyl or aminosulfonyl radicals BASF AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed
US-5763436-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
EP-0796271-A1 NEW DIPEPTIDE P-AMIDINOBENZYLAMIDES WITH N-TERMINAL SULFONYL OR AMINOSULFONYL RADICALS BASF AKTIENGESELLSCHAFT (DE) 1997-09-24 EP disclosed
US-5595999-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1997-01-21 US disclosed
US-5583133-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-12-10 US disclosed
US-5532232-A INHIBIT THROMBIN INDUCED PLATELET AGGREGATION; FIBRINOGEN ANTICOAGULANTS IN BLOOD HOFFMANN-LA ROCHE INC. (US) 1996-07-02 US disclosed
WO-1996017860-A1 NEW DIPEPTIDE P-AMIDINOBENZYLAMIDES WITH N-TERMINAL SULFONYL OR AMINOSULFONYL RADICALS BASF AKTIENGESELLSCHAFT (DE) 1996-06-13 WO disclosed
US-5393760-A Cardiovascular disorders, antitumor agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed
EP-0468231-B1 Guanidins HOFFMANN LA ROCHE (CH) 1994-09-21 EP disclosed
US-5260307-A Inhibit thrombin-induced platlet aggregation and clotting of fibrogen in plasma HOFMANN-LA ROCHE INC. (US) 1993-11-09 US disclosed
EP-0468231-A2 Guanidins F. HOFFMANN-LA ROCHE AG (CH) 1992-01-29 EP disclosed
US-4791102-A ANTICOAGULANTS SANOFI (FR) 1988-12-13 US disclosed