SCHEMBL6477608

SCHEMBL6477608

CC(C)(C)OC(=O)c1ccc(CNS(=O)(=O)c2ccccc2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 10/20 0.48
POLB P06746 1/20 0.47
CA12 O43570 4/20 0.47
CA1 P00915 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA7 P43166 1/20 0.47
FABP4 P15090 1/20 0.46
CA9 Q16790 3/20 0.45
CA2 P00918 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL6477365 0.84 ALDH1A1 (0.47) POLBCA12CA1CA14CA7
SCHEMBL8359856 0.82 POLB (0.47) NSD2POLBCA12CA1CA14
SCHEMBL6478175 0.81 LMNA (0.62) POLBCA12CA1CA2
SCHEMBL13763413 0.77 NSD2 (0.74) NSD2POLBCA12CA1CA14
SCHEMBL6483736 0.77 NSD2 (0.76) NSD2
SCHEMBL2173128 0.74 LOXL2 (0.47) CA12CA1CA14CA9CA2
SCHEMBL34481 0.74 CA1 (0.53) CA12CA1CA14CA9CA2
SCHEMBL4212803 0.73 SIRT2 (0.43) CA12CA1CA14CA9CA2
SCHEMBL6945571 0.70 HTT (0.50) CA12CA1CA14CA9CA2
SCHEMBL19682558 0.70 KMT2A (0.60) POLBCA12CA1CA14CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849648-B2 Phenylene alkyne matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-01 US disclosed
EP-1434585-A1 ALKYNE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2004-07-07 EP disclosed
US-20030144274-A1 Alkyne matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2003-07-31 US disclosed
WO-2003032999-A1 ALKYNE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-04-24 WO disclosed
WO-2003032999-A1 ALKYNE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-04-24 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 (1 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-20030144274-A1 Alkyne matrix metalloproteinase inhibitors MMP11, MMP13, MMP3 NSD2 3950/4885POLB 1295/4885CA12 388/4885

“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.