SCHEMBL7312138

SCHEMBL7312138

CCOc1ccc(OCC(=O)OC(C)(C)C)c2c1C(=O)N(Cc1ccccc1)S2(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.38
MAPT P10636 3/20 0.37
ACLY P53396 1/20 0.36
DVL1 O14640 1/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 2/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
DDB1 Q16531 1/20 0.34

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
SCHEMBL7305233 0.88 ELANE (0.38) ELANEMAPTACLYHPGDPOLB
SCHEMBL7304160 0.87 ELANE (0.41) ELANEMAPTACLYHPGDPOLB
SCHEMBL7305007 0.80 MAPT (0.43) ELANEMAPTPOLBKMT2AL3MBTL1
SCHEMBL7312086 0.79 ELANE (0.65) ELANEPOLBALDH1A1
SCHEMBL7306464 0.79 MAPT (0.40) ELANEMAPTHPGDPOLBKMT2A
SCHEMBL7278186 0.77 ALDH1A1 (0.42) ELANEMAPTPOLBKMT2AL3MBTL1
SCHEMBL8872494 0.75 ELANE (0.42) ELANEPOLBNPSR1ALDH1A1
SCHEMBL7288293 0.72 ELANE (0.54) ELANEMAPTKMT2AL3MBTL1CA12
SCHEMBL7314650 0.69 GAA (0.42) ELANEMAPTHPGDPOLBKMT2A
SCHEMBL7280180 0.68 ELANE (0.43) ELANEMAPTHPGDCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874432-A Saccharin derivatives useful as proteolytic enzyme inhibitors and compositions and method of use thereof SANOFI (FR) 1999-02-23 US disclosed
US-5650422-A TREATMENT OF EMPHYSEMA, ARTHRITIS OR PANCREATITIS SANOFI (FR) 1997-07-22 US disclosed
US-5596012-A Saccharin derivatives useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP INC. (US) 1997-01-21 US disclosed
US-5371074-A Use of saccharin derivatives as proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-06 US disclosed
US-5236917-A Respiratory system disorders, antiarthritic agents STERLING WINTHROP INC. (US) 1993-08-17 US disclosed
EP-0542372-A1 2-Substituted saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP disclosed