SCHEMBL3255095

SCHEMBL3255095

COCCOc1ccc(-c2ccc(S(=O)(=O)Cl)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.46
CHEK1 O14757 2/20 0.44
APP P05067 3/20 0.40
MMP2 P08253 4/20 0.40
MMP9 P14780 3/20 0.40
MMP3 P08254 2/20 0.38
MMP8 P22894 1/20 0.38
MMP1 P03956 2/20 0.38
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3255184 0.87 NPC1 (0.49) MMP13MMP2MMP9MMP1NPC1
SCHEMBL14569176 0.87 MMP13 (0.47) MMP13CHEK1APPMMP2MMP9
SCHEMBL3249960 0.84 MMP13 (0.47) MMP13MMP2MMP9MMP3MMP1
SCHEMBL959465 0.82 APP (0.61) MMP13APPMMP2MMP9MMP3
SCHEMBL7058945 0.78 MMP13 (0.35) MMP13APPMMP2MMP9MMP3
SCHEMBL7058199 0.77 MMP2 (0.45) MMP13APPMMP2MMP9MMP3
SCHEMBL7056446 0.77 CA12 (0.41) MMP13APPMMP2MMP9MMP3
SCHEMBL7503345 0.76 ALDH1A1 (0.46) MMP13MMP2MMP9MMP3MMP1
SCHEMBL3255089 0.76 MMP2 (0.45) MMP13APPMMP2MMP9MMP3
SCHEMBL14569172 0.74 NPC1 (0.50) MMP13APPMMP2MMP9MMP1

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 3/4885CHEK1 4162/4885APP 2059/4885
US-20040235896-A1 Certain azacycloalkyl substituted acetic acid derivatives MMP1, MMP9, MMP13 MMP13 3/4885CHEK1 3983/4885APP 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.