SCHEMBL7238548

SCHEMBL7238548

COc1ccc(-c2ccc(S(=O)(=O)NC(C(=O)O)C3CCCC(NCc4ccccc4)C3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 1.00
MMP2 P08253 18/20 1.00
MMP3 P08254 18/20 1.00
MMP1 P03956 17/20 1.00
MMP7 P09237 11/20 0.75
MMP9 P14780 3/20 0.60
MMP8 P22894 3/20 0.60

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
SCHEMBL7247696 0.94 MMP13 (0.88) MMP13MMP2MMP3MMP1MMP7
SCHEMBL7247209 0.90 MMP3 (1.00) MMP13MMP2MMP3MMP1MMP7
SCHEMBL7238891 0.86 MMP13 (0.79) MMP13MMP2MMP3MMP1MMP7
SCHEMBL7239174 0.85 MMP13 (0.73) MMP13MMP2MMP3MMP1MMP7
SCHEMBL7245292 0.84 MMP13 (0.79) MMP13MMP2MMP3MMP1MMP7
SCHEMBL7239169 0.83 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP7
SCHEMBL7244375 0.82 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP7
SCHEMBL7238699 0.82 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP7
SCHEMBL7084780 0.80 MMP1 (0.66) MMP13MMP2MMP3MMP1MMP7
SCHEMBL7241886 0.79 MMP13 (0.81) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162778-A1 Carbocyclic side chain containing metalloprotease inhibitors THE PROCTER AND GAMBLE COMPANY 2003-08-28 US claimed
US-20030162778-A1 Carbocyclic side chain containing metalloprotease inhibitors THE PROCTER AND GAMBLE COMPANY 2003-08-28 US 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-20030162778-A1 Carbocyclic side chain containing metalloprotease inhibitors MMP2, CMA1, SERPINB1 MMP13 24/4885MMP2 1/4885MMP3 6/4885

“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.