Sugi Predict

Sugi Predict / Compounds / SCHEMBL7663733

SCHEMBL7663733

SCHEMBL7663733

Cc1cc(COc2ccc(N3CC[C@H]([C@H](NC(=O)c4ccccc4)C(=O)NO)C3=O)cc2)c2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 13/20 1.00
▸ MMP2 P08253 8/20 1.00
▸ MMP9 P14780 3/20 0.80
▸ MMP1 P03956 2/20 0.80

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
Trifluoroacetic Acid SCHEMBL7667340 0.96 ADAM17 (0.92) ADAM17MMP2MMP9MMP1
SCHEMBL7670103 0.94 ADAM17 (0.91) ADAM17MMP2MMP9MMP1
SCHEMBL7667919 0.92 ADAM17 (1.00) ADAM17MMP2MMP9MMP1
SCHEMBL7433372 0.92 ADAM17 (1.00) ADAM17MMP2MMP9MMP1
SCHEMBL7430933 0.90 ADAM17 (1.00) ADAM17MMP2MMP9MMP1
Trifluoroacetic Acid SCHEMBL7673481 0.89 ADAM17 (0.83) ADAM17MMP2MMP9MMP1
Trifluoroacetic Acid SCHEMBL7661485 0.88 ADAM17 (0.91) ADAM17MMP2MMP9MMP1
SCHEMBL7425028 0.88 ADAM17 (1.00) ADAM17MMP2MMP9MMP1
SCHEMBL7664231 0.88 ADAM17 (1.00) ADAM17MMP2MMP9MMP1
SCHEMBL7428663 0.88 ADAM17 (1.00) ADAM17MMP2MMP9MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495548-B1 SUCH AS 3-((2,2-DIMETHYL-1-OXOPROPYL)AMINO)-N-HYDROXY-1-(4-((2-METHYL-4 -QUINOLINYL)METHOXY)PHENYL)-2-OXO-3-PYRROLIDINE ACETAMIDE; PREVENTING UNCONTROLLED BREAKDOWN OF CONNECTIVE TISSUE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-17 — — US claimed
US-6495548-B1 SUCH AS 3-((2,2-DIMETHYL-1-OXOPROPYL)AMINO)-N-HYDROXY-1-(4-((2-METHYL-4 -QUINOLINYL)METHOXY)PHENYL)-2-OXO-3-PYRROLIDINE ACETAMIDE; PREVENTING UNCONTROLLED BREAKDOWN OF CONNECTIVE TISSUE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-17 — — US disclosed