SCHEMBL7250907

SCHEMBL7250907

COc1ccc(-c2ccc(S(=O)(=O)NC3(C(=O)O)CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 0.60
MMP1 P03956 8/20 0.60
MMP9 P14780 8/20 0.60
MMP3 P08254 7/20 0.60
MMP7 P09237 7/20 0.60
MMP8 P22894 6/20 0.60
MMP2 P08253 5/20 0.60
STS P08842 3/20 0.58
GPR119 Q8TDV5 3/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL6289737 0.92 MMP13 (0.58) MMP13MMP1MMP9MMP3MMP7
SCHEMBL7410002 0.87 MMP13 (0.48) MMP13MMP1MMP9MMP3MMP7
SCHEMBL7253756 0.87 MMP1 (0.61) MMP13MMP1MMP9MMP3MMP7
SCHEMBL7255621 0.84 MMP13 (0.61) MMP13MMP1MMP9MMP3MMP7
SCHEMBL7251763 0.82 MMP1 (0.52) MMP13MMP1MMP9MMP3MMP7
SCHEMBL6506065 0.82 ADAM17 (0.66) MMP13MMP1MMP9MMP2GPR119
SCHEMBL7250977 0.82 MMP13 (0.60) MMP13MMP1MMP9MMP3MMP7
SCHEMBL7252096 0.79 ALDH1A1 (0.59) MMP13MMP1MMP9MMP3MMP7
SCHEMBL7251813 0.78 MMP13 (0.55) MMP13MMP1MMP9MMP3MMP7
SCHEMBL6964392 0.77 MMP1 (0.56) MMP13MMP1MMP9MMP3MMP7

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-20030171400-A1 Heterocyclic side chain containing metalloprotease inhibitors PROCTER & GAMBLE COMPANY, THE 2003-09-11 US claimed
US-20030171400-A1 Heterocyclic side chain containing metalloprotease inhibitors PROCTER & GAMBLE COMPANY, THE 2003-09-11 US disclosed
EP-1265863-A1 HETEROCYCLIC SIDE CHAIN CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-12-18 EP disclosed
WO-2001070690-A1 HETEROCYCLIC SIDE CHAIN CONTAINING 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 (1 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-20030171400-A1 Heterocyclic side chain containing metalloprotease inhibitors SERPINB1, ADAM17, TMPRSS15 MMP13 70/4885MMP1 28/4885MMP9 19/4885

“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.