SCHEMBL3255085

SCHEMBL3255085

CCOc1ccc(-c2ccc(S(=O)(=O)O)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.49
MMP1 P03956 4/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL13357631 0.86 MMP13 (0.50) MMP13MMP1MMP2MMP3MMP7
SCHEMBL3249960 0.85 MMP13 (0.47) MMP13MMP1MMP2MMP3MMP7
SCHEMBL3098780 0.83 APP (0.61) MMP13MMP1MMP2MMP3MMP9
SCHEMBL27961979 0.80 NQO1 (0.61) MAPT
SCHEMBL7060203 0.79 MMP2 (0.47) MMP13MMP1MMP2MMP3MMP7
SCHEMBL13464244 0.78 NQO1 (0.58) MAPT
SCHEMBL7057708 0.76 MMP2 (0.41) MMP13MMP1MMP2MMP3MMP7
SCHEMBL14569172 0.75 NPC1 (0.50) MMP13MMP1MMP2MMP9MAPT
SCHEMBL6205985 0.75 CYP2D6 (0.49) MMP13MMP1MAPT
SCHEMBL6207817 0.74 MMP13 (0.48) MMP13MMP1MMP2MMP3MMP7

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
EP-1373262-B1 AZACYCLOALKYL SUBSTITUTED ACETIC ACID DERIVATIVES FOR USE AS MMP INHIBITORS NOVARTIS AG (CH) 2010-05-12 EP disclosed
US-20070060569-A1 Azacycloalkyl substituted acetic acid derivatives for use as MMP inhibitors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20040235896-A1 Certain azacycloalkyl substituted acetic acid derivatives FUJIMOTO ROGER AKI (US) 2004-11-25 US disclosed
EP-1373262-A2 AZACYCLOALKYL SUBSTITUTED ACETIC ACID DERIVATIVES FOR USE AS MMP INHIBITORS Novartis AG (CH) 2004-01-02 EP disclosed
WO-2002072577-A2 AZACYCLOALKYL SUBSTITUTED ACETIC ACID DERIVATIVES FOR USE AS MMP INHIBITORS. NOVARTIS AG (CH) 2002-09-19 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-20070060569-A1 Azacycloalkyl substituted acetic acid derivatives for use as MMP inhibitors MMP9, MMP1, MMP13 MMP13 3/4885MMP1 2/4885MMP2 4/4885
US-20040235896-A1 Certain azacycloalkyl substituted acetic acid derivatives MMP1, MMP9, MMP13 MMP13 3/4885MMP1 1/4885MMP2 4/4885

“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.