SCHEMBL3109580

SCHEMBL3109580

O=C1[C@H](NS(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCCN1O

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 16/20 0.74
MMP9 P14780 15/20 0.74
MMP13 P45452 4/20 0.50
MMP3 P08254 3/20 0.50
MAPT P10636 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
UCHL1 P09936 1/20 0.43
USP30 Q70CQ3 1/20 0.43
F10 P00742 2/20 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
SCHEMBL3109584 1.00 MMP2 (0.74) MMP2MMP9MMP13MMP3MAPT
SCHEMBL4700891 0.93 MMP2 (0.72) MMP2MMP9MMP13MMP3MAPT
SCHEMBL4700893 0.93 MMP2 (0.72) MMP2MMP9MMP13MMP3MAPT
SCHEMBL3101561 0.85 MMP2 (1.00) MMP2MMP9MMP13MMP3F10
SCHEMBL3101551 0.85 MMP2 (1.00) MMP2MMP9MMP13MMP3F10
SCHEMBL4703218 0.83 MMP2 (0.57) MMP2MMP9MMP13MMP3F10
SCHEMBL14040504 0.83 MMP2 (0.57) MMP2MMP9MMP13MMP3F10
SCHEMBL8195701 0.82 MMP2 (1.00) MMP2MMP9MMP13MMP3F10
SCHEMBL8197033 0.82 MMP2 (1.00) MMP2MMP9MMP13MMP3MAPT
SCHEMBL8203481 0.82 MMP2 (1.00) MMP2MMP9MMP13MMP3MAPT

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-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
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

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 8/4885MMP13 29/4885
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 MMP2 16/4885MMP9 8/4885MMP13 29/4885

“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.