Sugi Predict

Sugi Predict / Compounds / SCHEMBL3135329

SCHEMBL3135329

SCHEMBL3135329

CC(C)(C)c1ccc(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)cc1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 16/20 0.78
▸ MMP2 P08253 12/20 0.78
▸ NR3C1 P04150 1/20 0.74
▸ NR3C2 P08235 1/20 0.74
▸ KCNA5 P22460 1/20 0.69
▸ ADAM17 P78536 2/20 0.66

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
SCHEMBL3135316 1.00 MMP9 (0.78) MMP9MMP2NR3C1NR3C2KCNA5
SCHEMBL3128232 0.90 KCNA5 (0.74) MMP9MMP2NR3C1NR3C2KCNA5
SCHEMBL3128246 0.90 KCNA5 (0.74) MMP9MMP2NR3C1NR3C2KCNA5
SCHEMBL5191094 0.89 MMP9 (0.89) MMP9MMP2KCNA5ADAM17
SCHEMBL6720186 0.89 MMP9 (0.89) MMP9MMP2KCNA5ADAM17
SCHEMBL3154764 0.88 MMP9 (0.88) MMP9MMP2NR3C1KCNA5ADAM17
SCHEMBL3154749 0.88 MMP9 (0.88) MMP9MMP2NR3C1KCNA5ADAM17
SCHEMBL7301154 0.88 MMP9 (1.00) MMP9MMP2NR3C1KCNA5ADAM17
SCHEMBL6021295 0.88 NR3C1 (0.65) MMP9MMP2NR3C1NR3C2KCNA5
SCHEMBL7468980 0.86 MMP9 (0.83) MMP9MMP2KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539141-B1 3-(SULFONAMIDOETHYL)-INDOLE DERIVATIVES FOR USE AS GLUCOCORTICOID MIMETICS IN THE TREATMENT OF INFLAMMATORY, ALLERGIC AND PROLIFERATIVE DISEASES BOEHRINGER INGELHEIM PHARMA (US) 2010-07-14 — — EP claimed