SCHEMBL6294163

SCHEMBL6294163

COc1ccc(-c2ccc(S(=O)(=O)N(Cc3ccccc3)C(C(=O)O)C3CCN(C(=O)N4CCOCC4)CC3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 13/20 0.62
MMP8 P22894 8/20 0.62
MMP1 P03956 11/20 0.60
MMP2 P08253 11/20 0.60
MMP3 P08254 11/20 0.60
MMP7 P09237 9/20 0.60
MMP9 P14780 8/20 0.60
BMP1 P13497 2/20 0.56
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
TAS2R14 Q9NYV8 1/20 0.44
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 1/20 0.43
CHRM5 P08912 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
SCHEMBL6808879 0.94 MMP13 (0.58) MMP13MMP8MMP1MMP2MMP3
SCHEMBL6918801 0.92 MMP13 (0.57) MMP13MMP8MMP1MMP2MMP3
SCHEMBL6290473 0.91 MMP13 (0.65) MMP13MMP8MMP1MMP2MMP3
SCHEMBL7046221 0.90 MMP13 (0.58) MMP13MMP8MMP1MMP2MMP3
SCHEMBL6290466 0.85 MMP13 (0.69) MMP13MMP8MMP1MMP2MMP3
SCHEMBL6291020 0.84 MMP13 (0.84) MMP13MMP8MMP1MMP2MMP3
SCHEMBL6810494 0.81 MMP13 (0.59) MMP13MMP8MMP1MMP2MMP3
SCHEMBL7043145 0.81 MMP13 (0.72) MMP13MMP8MMP1MMP2MMP3
SCHEMBL6804554 0.80 MMP13 (0.64) MMP13MMP8MMP1MMP2MMP3
SCHEMBL7347776 0.79 MMP13 (0.54) MMP13MMP8MMP1MMP2MMP3

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-6949545-B2 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-09-27 US claimed
US-20030139414-A1 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2003-07-24 US claimed
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 38/4885MMP8 37/4885MMP1 15/4885
US-20040127498-A1 Heterocyclic side chain containing, n-substituted metalloprotease inhibitors MME, MMP2, MMP9 MMP13 38/4885MMP8 37/4885MMP1 15/4885

“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.