SCHEMBL6809660

SCHEMBL6809660

COc1ccc(-c2ccc(S(=O)(=O)N(C)C(C(=O)O)C3CCOCC3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.64
MMP2 P08253 15/20 0.64
MMP3 P08254 15/20 0.64
MMP1 P03956 14/20 0.64
MMP7 P09237 9/20 0.64
MMP8 P22894 8/20 0.64
MMP9 P14780 7/20 0.64
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MMP14 P50281 1/20 0.43

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
SCHEMBL6289732 0.97 MMP13 (0.59) MMP13MMP2MMP3MMP1MMP7
SCHEMBL6294217 0.90 MMP13 (0.55) MMP13MMP2MMP3MMP1MMP7
SCHEMBL6290466 0.88 MMP13 (0.69) MMP13MMP2MMP3MMP1MMP7
SCHEMBL7082697 0.88 MMP13 (0.65) MMP13MMP2MMP3MMP1MMP7
SCHEMBL7080925 0.87 MMP13 (0.64) MMP13MMP2MMP3MMP1MMP7
SCHEMBL7078213 0.86 MMP13 (0.60) MMP13MMP2MMP3MMP1MMP7
SCHEMBL7081077 0.85 MMP13 (0.66) MMP13MMP2MMP3MMP1MMP7
SCHEMBL7045752 0.83 MMP13 (0.71) MMP13MMP2MMP3MMP1MMP7
SCHEMBL7046221 0.83 MMP13 (0.58) MMP13MMP2MMP3MMP1MMP7
SCHEMBL7077489 0.82 MMP13 (0.64) MMP13MMP2MMP3MMP1MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030139414-A1 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2003-07-24 US claimed
US-20040127498-A1 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2004-07-01 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 38/4885MMP2 2/4885MMP3 13/4885
US-20040127498-A1 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors MME, MMP2, MMP9 MMP13 38/4885MMP2 2/4885MMP3 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.