SCHEMBL6504933

SCHEMBL6504933

CCOC(=O)c1c(C)nc(C)nc1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.65
LMNA P02545 2/20 0.65
PKM P14618 1/20 0.65
RAB9A P51151 3/20 0.60
HSD17B10 Q99714 3/20 0.60
TP53 P04637 1/20 0.60
PDE4D Q08499 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
GAA P10253 4/20 0.50
MAPT P10636 4/20 0.50
NPC1 O15118 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 2/20 0.46
RECQL P46063 1/20 0.46
FHIT P49789 1/20 0.46
ADORA3 P0DMS8 2/20 0.46
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL10073316 0.87 PDE4D (0.55) KDM4ELMNAPKMRAB9AHSD17B10
SCHEMBL10586072 0.84 KDM4E (0.51) KDM4ELMNAPKMRAB9AHSD17B10
SCHEMBL3091475 0.83 KDM4E (0.50) KDM4ELMNAPKMRAB9AHSD17B10
SCHEMBL13759849 0.81 KDM4E (0.58) KDM4ELMNAPKMRAB9AHSD17B10
SCHEMBL7849089 0.80 KDM4E (0.58) KDM4ELMNAPKMRAB9AHSD17B10
SCHEMBL12575834 0.79 LMNA (0.51) KDM4ELMNAPKMRAB9AHSD17B10
SCHEMBL7849091 0.79 KDM4E (0.42) KDM4ELMNAPKMRAB9AHSD17B10
SCHEMBL22120077 0.77 GAA (0.50) KDM4ELMNAPKMRAB9AHSD17B10
SCHEMBL22573316 0.77 KDM4E (0.76) KDM4ELMNAPKMRAB9AHSD17B10
SCHEMBL16851079 0.76 ADORA3 (0.65) KDM4ELMNAPKMRAB9AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH HOLDINGS CORPORATION 2005-05-26 US disclosed
US-6812227-B2 SULFUR COMPOUNDS SUCH AS 2-((4-BUT-2-YNYLOXY-BENZENESULFONYL)-METHYL-AMINO)-N-HYDROXY-3-METHYL -BUTYRAMIDE, USED AS TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME (TACE) INHIBITORS, FOR PROPHYLAXIS OF RHEUMATIC DISEASES, SEPSIS OR INFLAMMATION WYETH HOLDINGS CORPORATION 2004-11-02 US disclosed
EP-1144368-B1 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-07-14 EP disclosed
US-6716833-B2 RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, SEPSIS, AIDS, ULCERATIVE COLITIS, MULTIPLE SCLEROSIS, CROHN'S DISEASE AND DEGENERATIVE CARTILAGE LOSS. WYETH HOLDINGS CORPORATION 2004-04-06 US disclosed
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH (US) 2004-02-19 US disclosed
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH (US) 2003-11-13 US disclosed
US-20030008849-A1 Acetylenic alpha -amino acid-based sulfonamide hydroxamic acid tace inhibitors LEVIN JEREMY I (US) 2003-01-09 US disclosed
EP-1144368-A2 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 EP disclosed
US-6225311-B1 Acetylenic α-amino acid-based sulfonamide hydroxamic acid tace inhibitors AMERICAN CYANAMID COMPANY 2001-05-01 US disclosed
WO-2000044709-A2 ACETYLENIC α-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030008849-A1 Acetylenic alpha -amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 KDM4E 3928/4885LMNA 2409/4885PKM 3922/4885
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 KDM4E 3928/4885LMNA 2409/4885PKM 3922/4885
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 KDM4E 3928/4885LMNA 2409/4885PKM 3922/4885
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, MMP12 KDM4E 3868/4885LMNA 2044/4885PKM 3929/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.