SCHEMBL7304572

SCHEMBL7304572

COc1cc(C(=O)OCN2C(=O)C3=C(C4CCC3C4)S2(=O)=O)ccn1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.58
PROKR1 Q8TCW9 3/20 0.39
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
JMJD6 Q6NYC1 2/20 0.34
CYP17A1 P05093 2/20 0.34
FFAR1 O14842 2/20 0.33

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
SCHEMBL7297808 0.84 ELANE (0.57) ELANEJMJD6CYP17A1
SCHEMBL7305039 0.79 ELANE (0.63) ELANE
SCHEMBL7438739 0.74 ELANE (1.00) ELANE
SCHEMBL7306702 0.73 ELANE (0.61) ELANE
Methyl Alcohol SCHEMBL7330929 0.71 ELANE (0.60) ELANE
SCHEMBL7332156 0.70 ELANE (0.59) ELANE
SCHEMBL7303952 0.70 ELANE (0.66) ELANE
SCHEMBL7456502 0.67 JMJD6 (0.55) JMJD6
SCHEMBL29587235 0.64 KDM4E (0.61) PROKR1JMJD6
SCHEMBL17761 0.64 KDM4E (0.61) PROKR1JMJD6

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
EP-0550111-B1 2-Saccharinylmethyl heterocyclic carboxylates useful as proteolytic enzyme inhibitors and pharmaceutical compositions containing them SANOFI SA (FR) 1999-04-14 EP disclosed
US-5856349-A 2-Saccharinylmethyl heterocyclic carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use thereof SANOFI (FR) 1999-01-05 US disclosed
US-5652254-A TREATMENT OF DEGENERATIVE DISEASES, RHEUMATOID ARTHRITIS, PSORIASIS, CYSTIC FIBROSIS SANOFI, S.A. (FR) 1997-07-29 US disclosed
US-5488062-A 2-saccharinylmethyl heterocyclic carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP INC. (US) 1996-01-30 US disclosed
US-5376653-A A protease enzyme inhibitor for treating degenerative diseases , respiratory system disorders, rheumatoid arthritis and pancreatitis STERLING WINTHROP INC. (US) 1994-12-27 US disclosed
EP-0550111-A1 2-Saccharinylmethyl heterocyclic carboxylates useful as proteolytic enzyme inhibitors and pharmaceutical compositions containing them STERLING WINTHROP INC. (US) 1993-07-07 EP disclosed