SCHEMBL940436

SCHEMBL940436

O=C1NC(=O)C2(CCCCC2SCc2ccccc2)N1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.44
CRBN Q96SW2 2/20 0.42
DDB1 Q16531 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6235555 0.96 CRBN (0.43) GAAHPGDMAPK1CRBNDDB1
Benzenemethanethiol SCHEMBL6807689 0.94 GAA (0.40) GAAHPGDMAPK1CRBNDDB1
SCHEMBL6239837 0.77 CRBN (0.39) GAAHPGDCRBNDDB1ALDH1A1
SCHEMBL6807691 0.72 CRBN (0.40) GAAHPGDMAPK1CRBNDDB1
SCHEMBL15229601 0.70 TDP1 (0.42) GAAHPGDMAPK1TDP1ALDH1A1
SCHEMBL11284008 0.69 SMN1; SMN2 (0.41) HPGDMAPK1CRBNDDB1SMN1; SMN2
SCHEMBL12880751 0.68 TDP1 (0.44) GAAHPGDMAPK1TDP1ALDH1A1
SCHEMBL12880750 0.68 TDP1 (0.44) GAAHPGDMAPK1TDP1ALDH1A1
SCHEMBL13053338 0.67 ALDH1A1 (0.43) GAAHPGDMAPK1CRBNDDB1
SCHEMBL13053343 0.67 ALDH1A1 (0.43) GAAHPGDMAPK1CRBNDDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
US-7754750-B2 a -5 substituted 1-H,3-H-imidazolidine-2,4-dione such as 5-(2-{[4-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-piperazinyl]sulfonyl}ethyl)-2,4-imidazolidinedione; protease inhibitors, especially metalloelastase (MMP12) ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-20080306065-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-7427631-B2 especially as inhibitors of MMP12 ASTRAZENECA AB (SE) 2008-09-23 US disclosed
US-20080171882-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-07-17 US disclosed
EP-1370556-B1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-07-19 EP disclosed
EP-1676846-A2 Hydantoin derivatives as MMP inhibitors AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20050256176-A1 Sulphonamide derivatives and their use as tace inhibitors ASTAZENECA AB (SE) 2005-11-17 US disclosed
EP-1539740-A1 SULPHONAMIDE DERIVATIVES AND THEIR USE AS TACE INHIBITORS AstraZeneca AB (SE) 2005-06-15 EP disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
WO-2004024715-A1 SULPHONAMIDE DERIVATIVES AND THEIR USE AS TACE INHIBITORS ASTRAZENECA AB (SE) 2004-03-25 WO disclosed
EP-0001193-B1 CARBOCYLIC AMINO ACIDS, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCIENCE UNION ET Cie SOCIETE FRANCAISE DE RECHERCHE MEDICALE (FR) 1981-10-14 EP 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 (5 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-20110003853-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 GAA 123/4885HPGD 169/4885MAPK1 1976/4885
US-20050256176-A1 Sulphonamide derivatives and their use as tace inhibitors ADAM10, ADAM17, TNF GAA 106/4885HPGD 698/4885MAPK1 1772/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 GAA 123/4885HPGD 169/4885MAPK1 1976/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 GAA 123/4885HPGD 169/4885MAPK1 1976/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 GAA 408/4885HPGD 335/4885MAPK1 3375/4885

“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.