SCHEMBL7401982

SCHEMBL7401982

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 11/20 0.60
SLC1A3 P43003 10/20 0.60
SLC1A1 P43005 10/20 0.60
MMP9 P14780 3/20 0.49
MMP2 P08253 4/20 0.49
MMP3 P08254 3/20 0.49
MMP13 P45452 3/20 0.49
ADAMTS4 O75173 3/20 0.49
MMP1 P03956 2/20 0.49
MMP7 P09237 2/20 0.49
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 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
SCHEMBL5899567 0.86 MMP9 (0.61) SLC1A2SLC1A3SLC1A1MMP9MMP2
SCHEMBL13335276 0.81 SMN1; SMN2 (0.50) SLC1A2SLC1A3SLC1A1MMP9MMP2
SCHEMBL11578980 0.79 ADAMTS4 (0.59) SLC1A2SLC1A3SLC1A1MMP9MMP2
SCHEMBL8648587 0.79 SLC1A2 (0.76) SLC1A2SLC1A3SLC1A1MMP9MMP2
SCHEMBL12808878 0.78 MMP2 (0.76) MMP9MMP2MMP3MMP13ADAMTS4
SCHEMBL7397814 0.77 POLB (0.50) SLC1A2SLC1A3SLC1A1MMP9MMP2
SCHEMBL7315790 0.77 POLB (0.50) SLC1A2SLC1A3SLC1A1MMP9MMP2
Hydrochloric Acid SCHEMBL7315781 0.76 POLB (0.49) SLC1A2SLC1A3SLC1A1MMP9MMP2
Hydrochloric Acid SCHEMBL7315786 0.76 POLB (0.49) SLC1A2SLC1A3SLC1A1MMP9MMP2
SCHEMBL11588570 0.76 SLC1A2 (1.00) SLC1A2SLC1A3SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714295-B1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2000-12-20 EP disclosed
EP-0714295-A4 1996-07-10 EP disclosed
EP-0714295-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-06-05 EP disclosed
US-5397791-A Anticoagulants MERCK & CO., INC. (US) 1995-03-14 US disclosed
WO-1995004531-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-02-16 WO disclosed