SCHEMBL7238537

SCHEMBL7238537

COc1ccc(C(=O)O)cc1NC(=O)C(S)S

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.59
GAA P10253 1/20 0.59
LTB4R Q15722 6/20 0.57
POLB P06746 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54
TPMT P51580 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52
RAB9A P51151 3/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50

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
SCHEMBL17512364 0.87 MAPK1 (0.60) MAPK1GAALTB4RPOLBMEN1
SCHEMBL1277038 0.81 CA12 (0.61) MAPK1GAALTB4RPOLBMEN1
SCHEMBL2217173 0.81 LTB4R (0.66) MAPK1GAALTB4RPOLBMEN1
SCHEMBL10742633 0.80 CA12 (0.64) MAPK1GAALTB4RPOLBMEN1
SCHEMBL30362093 0.79 LTB4R (0.64) MAPK1GAALTB4RPOLBMEN1
SCHEMBL15754270 0.79 LTB4R (0.64) MAPK1GAALTB4RPOLBMEN1
SCHEMBL20053685 0.79 LTB4R (0.64) MAPK1GAALTB4RPOLBMEN1
SCHEMBL7531177 0.79 LTB4R (0.68) MAPK1GAALTB4RPOLBMEN1
SCHEMBL2217939 0.78 CA12 (0.65) MAPK1GAALTB4RPOLBMEN1
SCHEMBL6113978 0.78 MEN1 (0.62) MAPK1GAALTB4RPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630496-B1 Antiinflammatory agents inhibit phospholipase 2, affecting both protaglandin and leukotriene production; indoles substituted in 2 position by 2,4-dioxo-thiazol-3-yl methylidene GENETICS INSTITUTE LLC 2003-10-07 US disclosed
EP-1062216-A1 INHIBITORS OF PHOSPHOLIPASE A2 GENETICS INSTITUTE, INC. (US) 2000-12-27 EP disclosed
WO-1999043672-A9 INHIBITORS OF PHOSPHOLIPASE A2 GENETICS INST (US) 2000-05-04 WO disclosed
WO-1999043672-A1 INHIBITORS OF PHOSPHOLIPASE A2 GENETICS INSTITUTE, INC. (US) 1999-09-02 WO disclosed