SCHEMBL7315790

SCHEMBL7315790

COC(=O)[C@H](CN)NS(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
MMP2 P08253 7/20 0.49
MMP9 P14780 7/20 0.49
SLC1A3 P43003 2/20 0.48
SLC1A2 P43004 2/20 0.48
SLC1A1 P43005 2/20 0.48
ADAMTS4 O75173 3/20 0.47
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45

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
SCHEMBL7397814 1.00 POLB (0.50) POLBMMP2MMP9SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL7315786 0.98 POLB (0.49) POLBMMP2MMP9SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL7315781 0.98 POLB (0.49) POLBMMP2MMP9SLC1A3SLC1A2
Hydrochloric Acid SCHEMBL7346261 0.87 BACE1 (0.48) MMP2MMP9SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL7346258 0.87 BACE1 (0.48) MMP2MMP9SLC1A3SLC1A2SLC1A1
SCHEMBL7113450 0.87 MMP2 (0.48) MMP2MMP9SLC1A3SLC1A2SLC1A1
SCHEMBL10076124 0.86 POLB (0.51) POLBMMP2MMP9ADAMTS4MEN1
SCHEMBL1737163 0.86 POLB (0.51) POLBMMP2MMP9ADAMTS4MEN1
SCHEMBL1735671 0.86 POLB (0.51) POLBMMP2MMP9ADAMTS4MEN1
SCHEMBL7215705 0.86 ALDH1A1 (0.47) MMP2MMP9SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0698023-B1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2000-08-23 EP disclosed
WO-1999020606-A2 PIPERIDINES AND PIPERAZINES AS PLATELET AGGREGATION INHIBITORS J. URIACH & CIA. S.A. (ES) 1999-04-29 WO disclosed
WO-1998046599-A1 NOVEL CARBOXAMIDES AS PLATELET AGGREGATION INHIBITORS J. URIACH & CIA. S.A. (ES) 1998-10-22 WO disclosed
US-5710159-A IMIDAZOLIN-2-YLAMINOPROPOXY)ISOXAZOL-5-CARBONYLAMINO-2 -BENZYLOXYCARBONYLAMINOPROPIONIC ACID AS ANTIINFLAMMATORY AGENTS, BONE DEGRADATION, TUMORS, METASTASES AND THROMBOSIS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-20 US disclosed
EP-0698023-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1997-07-02 EP disclosed
EP-0673247-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-05-01 EP disclosed
EP-0698023-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-02-28 EP disclosed
EP-0673247-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-09-27 EP disclosed
WO-1994026745-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-11-24 WO disclosed
US-5334596-A Anticoagulants MERCK & CO., INC. (US) 1994-08-02 US disclosed
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 WO disclosed