SCHEMBL8203977

SCHEMBL8203977

O=C1C(NS(=O)(=O)c2ccc(N3CCC(c4ccccc4)CC3)cc2)CC=CCN1O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 15/20 0.64
MMP9 P14780 15/20 0.64
MMP13 P45452 3/20 0.55
MMP3 P08254 3/20 0.55
MCOLN2 Q8IZK6 2/20 0.43
MCOLN3 Q8TDD5 2/20 0.43
MCOLN1 Q9GZU1 2/20 0.43
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
STAT3 P40763 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3116659 1.00 MMP2 (0.64) MMP2MMP9MMP13MMP3MCOLN2
SCHEMBL3108337 0.91 MMP2 (0.71) MMP2MMP9MMP13MMP3MCOLN2
SCHEMBL8204525 0.91 MMP2 (0.71) MMP2MMP9MMP13MMP3MCOLN2
SCHEMBL3107582 0.83 MMP2 (0.46) MMP2MMP9MMP13MMP3MCOLN2
SCHEMBL8209543 0.78 MMP2 (1.00) MMP2MMP9MMP13MMP3
SCHEMBL3109502 0.78 MMP2 (1.00) MMP2MMP9MMP13MMP3
SCHEMBL8195695 0.74 MMP2 (1.00) MMP2MMP9MMP13MMP3
SCHEMBL13036926 0.74 MMP2 (0.78) MMP2MMP9MMP13MMP3TSHR
SCHEMBL8195631 0.74 MMP2 (1.00) MMP2MMP9MMP13MMP3
SCHEMBL4426623 0.71 MMP3 (0.54) MMP2MMP9MMP13MMP3LMNA

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 7 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-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
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.