SCHEMBL6289750

SCHEMBL6289750

COC(=O)C1(NS(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)CCN(C(=O)N2CCOCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.58
MMP1 P03956 4/20 0.58
MMP3 P08254 3/20 0.58
MMP7 P09237 2/20 0.58
MMP9 P14780 2/20 0.58
MMP2 P08253 2/20 0.58
MMP8 P22894 1/20 0.58
ALDH1A1 P00352 3/20 0.49
AKR1C3 P42330 1/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.48
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
BLM P54132 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL7250977 0.92 MMP13 (0.60) MMP13MMP1MMP3MMP7MMP9
SCHEMBL6289737 0.82 MMP13 (0.58) MMP13MMP1MMP3MMP7MMP9
SCHEMBL6291043 0.80 MMP13 (0.52) MMP13MMP1MMP3MMP7MMP9
SCHEMBL6289785 0.79 MMP13 (0.53) MMP13MMP1MMP3MMP7MMP9
SCHEMBL7410002 0.78 MMP13 (0.48) MMP13MMP1MMP3MMP7MMP9
SCHEMBL6293732 0.78 MMP2 (0.52) MMP13MMP1MMP3MMP7MMP9
SCHEMBL643982 0.76 MMP1 (0.55) MMP13MMP1MMP3MMP7MMP9
SCHEMBL6289787 0.75 MMP13 (0.52) MMP13MMP1MMP3MMP7MMP9
SCHEMBL7253756 0.74 MMP1 (0.61) MMP13MMP1MMP3MMP7MMP9
SCHEMBL7341184 0.74 MMP1 (0.56) MMP13MMP1MMP9MMP2MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949545-B2 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-09-27 US disclosed
US-20040127498-A1 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2004-07-01 US disclosed
US-20030139414-A1 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2003-07-24 US disclosed
EP-1265864-A1 HETEROCYCLIC SIDE CHAIN CONTAINING, N-SUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-12-18 EP disclosed
WO-2001070691-A1 HETEROCYCLIC SIDE CHAIN CONTAINING, N-SUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2001-09-27 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-20030139414-A1 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors MME, MMP2, MMP9 MMP13 38/4885MMP1 15/4885MMP3 13/4885
US-20040127498-A1 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors MME, MMP2, MMP9 MMP13 38/4885MMP1 15/4885MMP3 13/4885

“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.