SCHEMBL3255089

SCHEMBL3255089

COC(C)Oc1ccc(-c2ccc(S(=O)(=O)Cl)s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.45
MMP9 P14780 7/20 0.45
APP P05067 5/20 0.41
MMP13 P45452 12/20 0.41
MMP3 P08254 6/20 0.41
MMP8 P22894 3/20 0.41
MMP1 P03956 7/20 0.37
MMP14 P50281 3/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP7 P09237 1/20 0.33

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
SCHEMBL7058199 0.90 MMP2 (0.45) MMP2MMP9APPMMP13MMP3
SCHEMBL959465 0.83 APP (0.61) MMP2MMP9APPMMP13MMP3
SCHEMBL7056446 0.78 CA12 (0.41) MMP2MMP9APPMMP13MMP3
SCHEMBL7217754 0.77 MMP2 (0.39) MMP2MMP9APPMMP13MMP3
SCHEMBL3249960 0.77 MMP13 (0.47) MMP2MMP9MMP13MMP3MMP1
SCHEMBL3255095 0.76 MMP13 (0.46) MMP2MMP9APPMMP13MMP3
SCHEMBL14569171 0.76 MMP2 (0.46) MMP2MMP9APPMMP13MMP3
SCHEMBL7055457 0.75 MAPT (0.46) MMP2MMP9APPMMP13MMP3
SCHEMBL3254332 0.75 MMP2 (0.42) MMP2MMP9MMP13MMP1NPC1
SCHEMBL7549393 0.75 MMP2 (0.42) MMP2MMP9MMP13MMP1NPC1

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 MMP2 4/4885MMP9 1/4885APP 2059/4885
US-20040235896-A1 Certain azacycloalkyl substituted acetic acid derivatives MMP1, MMP9, MMP13 MMP2 4/4885MMP9 2/4885APP 2276/4885

“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.