SCHEMBL3103544

SCHEMBL3103544

O=C1[C@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCCN1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.64
MMP9 P14780 8/20 0.64
MMP13 P45452 3/20 0.48
MMP3 P08254 2/20 0.48
HTT P42858 1/20 0.47
F10 P00742 5/20 0.47
AR P10275 1/20 0.43
HTR1A P08908 2/20 0.43
HTR7 P34969 2/20 0.43
PGR P06401 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
UCHL1 P09936 1/20 0.41
USP30 Q70CQ3 1/20 0.41
MMP1 P03956 1/20 0.41
MMP14 P50281 1/20 0.41

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
SCHEMBL3103549 1.00 MMP2 (0.64) MMP2MMP9MMP13MMP3HTT
SCHEMBL13036937 0.90 MMP2 (0.51) MMP2MMP9MMP13MMP3F10
SCHEMBL4698153 0.84 F10 (0.51) MMP2MMP9MMP13MMP3F10
SCHEMBL4698155 0.84 F10 (0.51) MMP2MMP9MMP13MMP3F10
SCHEMBL3101506 0.84 MMP2 (0.64) MMP2MMP9MMP13MMP3HTT
SCHEMBL4701580 0.80 F10 (0.45) F10UCHL1USP30
SCHEMBL4701576 0.80 F10 (0.45) F10UCHL1USP30
SCHEMBL3101551 0.78 MMP2 (1.00) MMP2MMP9MMP13MMP3F10
SCHEMBL3101561 0.78 MMP2 (1.00) MMP2MMP9MMP13MMP3F10
SCHEMBL3111232 0.77 MMP2 (0.72) MMP2MMP9MMP13MMP3HTT

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 6 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-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.