SCHEMBL7314409

SCHEMBL7314409

CCOc1ccc(C(=O)N(C)C)c2c1C(=O)N(Cn1nnn(-c3ccccc3)c1=S)S2(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
UBE2N P61088 1/20 0.32
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL7315370 0.68 ELANE (0.68) ELANEALDH1A1
SCHEMBL7307335 0.67 ELANE (0.54) ELANETSHRALDH1A1
SCHEMBL7306987 0.67 ELANE (0.73) ELANEALDH1A1
SCHEMBL7300972 0.67 TSHR (0.46) ELANETSHR
SCHEMBL7304774 0.65 ELANE (0.75) ELANEALDH1A1
SCHEMBL7312086 0.63 ELANE (0.65) ELANEALDH1A1
SCHEMBL7305007 0.62 MAPT (0.43) ELANEALDH1A1L3MBTL1
SCHEMBL7309354 0.61 ELANE (0.48) ELANETSHRALDH1A1
SCHEMBL9314177 0.61 ELANE (0.46) ELANEALDH1A1NPSR1GLAL3MBTL1
SCHEMBL11124409 0.60 TSHR (0.60) TSHRALDH1A1NPSR1

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
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-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