Sugi Predict

Sugi Predict / Compounds / SCHEMBL6794928

SCHEMBL6794928

SCHEMBL6794928

Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCCC3)cc2)c2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 17/20 1.00
▸ MMP13 P45452 10/20 1.00
▸ MMP2 P08253 5/20 1.00
▸ MMP9 P14780 2/20 1.00

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
SCHEMBL6795271 0.99 ADAM17 (1.00) ADAM17MMP13MMP2MMP9
SCHEMBL6788849 0.98 ADAM17 (1.00) ADAM17MMP13MMP2MMP9
Trifluoroacetic Acid SCHEMBL6787337 0.95 ADAM17 (0.91) ADAM17MMP13MMP2MMP9
Trifluoroacetic Acid SCHEMBL6794294 0.94 ADAM17 (0.91) ADAM17MMP13MMP2MMP9
Trifluoroacetic Acid SCHEMBL6790603 0.94 ADAM17 (0.91) ADAM17MMP13MMP2MMP9
SCHEMBL6788301 0.93 ADAM17 (0.91) ADAM17MMP13MMP2MMP9
SCHEMBL6794665 0.93 ADAM17 (1.00) ADAM17MMP13MMP2MMP9
SCHEMBL6789566 0.92 ADAM17 (1.00) ADAM17MMP13MMP2MMP9
SCHEMBL5866623 0.91 ADAM17 (0.84) ADAM17MMP13MMP2MMP9
SCHEMBL6794673 0.91 ADAM17 (1.00) ADAM17MMP13MMP2MMP9

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
US-6825215-B2 N-HYDROXY-2-(2-(((4-((2-METHYL-4-QUINOLINYL)METHOXY)PHENYL) -SULFONYL)METHYL)-2-PYRROLIDINYL)ACETAMIDE, FOR EXAMPLE AND OTHER QUINOLINE CONTAINING N-HYDROXYACETAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-30 — — US disclosed