SCHEMBL3107582

SCHEMBL3107582

O=C1[C@H](NS(=O)(=O)c2ccc(N3CCC(c4ccccc4)CC3)cc2)CC=CCN1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.46
MMP9 P14780 9/20 0.46
MMP3 P08254 2/20 0.41
MMP13 P45452 2/20 0.39
MCOLN2 Q8IZK6 2/20 0.39
MCOLN3 Q8TDD5 2/20 0.39
MCOLN1 Q9GZU1 2/20 0.39
UCHL1 P09936 1/20 0.36
USP30 Q70CQ3 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
STAT3 P40763 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F10 P00742 3/20 0.35
HTT P42858 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
SCHEMBL3112458 0.84 MMP2 (0.52) MMP2MMP9MMP3MMP13MCOLN3
SCHEMBL8203977 0.83 MMP2 (0.64) MMP2MMP9MMP3MMP13MCOLN2
SCHEMBL3116659 0.83 MMP2 (0.64) MMP2MMP9MMP3MMP13MCOLN2
SCHEMBL3101506 0.80 MMP2 (0.64) MMP2MMP9MMP3MMP13F10
SCHEMBL8204525 0.73 MMP2 (0.71) MMP2MMP9MMP3MMP13MCOLN2
SCHEMBL3108337 0.73 MMP2 (0.71) MMP2MMP9MMP3MMP13MCOLN2
SCHEMBL7473078 0.71 CYP19A1 (0.47) MMP2MMP9MMP3MMP13MCOLN2
SCHEMBL7468288 0.70 MMP3 (0.47) MMP2MMP9MMP3MMP13NPC1
SCHEMBL4701576 0.69 F10 (0.45) UCHL1USP30F10
SCHEMBL4698155 0.69 F10 (0.51) MMP2MMP9MMP3MMP13UCHL1

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 3 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-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

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 8/4885MMP3 17/4885
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 MMP2 16/4885MMP9 8/4885MMP3 17/4885

“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.