SCHEMBL3105222

SCHEMBL3105222

Cc1ccc(-c2ccc(S(=O)(=O)C3CCCCN(O)C3=O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.65
MMP9 P14780 5/20 0.65
PKM P14618 1/20 0.48
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.43
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MMP13 P45452 1/20 0.39
EBP Q15125 1/20 0.39
DHCR7 Q9UBM7 1/20 0.39
ACHE P22303 1/20 0.38

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
SCHEMBL3106310 0.88 MMP2 (0.62) MMP2MMP9ALDH1A1SMN1; SMN2GAA
SCHEMBL13037010 0.87 MMP2 (0.66) MMP2MMP9ALDH1A1SMN1; SMN2GAA
SCHEMBL3111172 0.87 MMP2 (0.61) MMP2MMP9ALDH1A1SMN1; SMN2GAA
SCHEMBL3114327 0.84 MMP2 (0.58) MMP2MMP9ALDH1A1SMN1; SMN2GAA
SCHEMBL3105251 0.82 MMP2 (0.65) MMP2MMP9PKMALDH1A1SMN1; SMN2
SCHEMBL3114064 0.82 MMP2 (0.65) MMP2MMP9ALDH1A1SMN1; SMN2GAA
SCHEMBL3115789 0.80 MMP2 (0.71) MMP2MMP9ALDH1A1SMN1; SMN2GAA
SCHEMBL3099795 0.79 MMP2 (1.00) MMP2MMP9PKMALDH1A1SMN1; SMN2
SCHEMBL3108667 0.78 MMP2 (0.98) MMP2MMP9PKMALDH1A1SMN1; SMN2
SCHEMBL13036933 0.76 MMP2 (0.77) MMP2MMP9ALDH1A1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-04 US disclosed
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-04 US disclosed
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-04 US disclosed
US-7803793-B2 Heterocyclic derived metalloprotease inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-09-28 US disclosed
US-7803793-B2 Heterocyclic derived metalloprotease inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-09-28 US disclosed
US-7803793-B2 Heterocyclic derived metalloprotease inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-09-28 US disclosed
EP-2089365-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-08-19 EP disclosed
US-20080103129-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-01 US disclosed
US-20080103129-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-01 US disclosed
US-20080103129-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-01 US disclosed
WO-2008045668-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-17 WO disclosed
WO-2008045668-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-17 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 (2 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-20080103129-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 MMP2 16/4885MMP9 8/4885PKM 2579/4885
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 MMP2 16/4885MMP9 8/4885PKM 2579/4885

“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.