SCHEMBL6674663

SCHEMBL6674663

O=CN(O)C(CCCc1ncccn1)CS(=O)(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3)cn2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 1/20 0.76
MMP13 P45452 4/20 0.73
CYP3A4 P08684 3/20 0.73
MMP14 P50281 3/20 0.40
KCNH2 Q12809 3/20 0.40
ADAMTS4 O75173 2/20 0.40
MMP1 P03956 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MGLL Q99685 2/20 0.34
RET P07949 2/20 0.33
HSD17B10 Q99714 1/20 0.33
ADK P55263 1/20 0.33
ADRB2 P07550 1/20 0.33
PRCP P42785 1/20 0.33
CTSS P25774 1/20 0.33
DGAT1 O75907 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 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
SCHEMBL5883208 0.93 MMP7 (0.81) MMP7MMP13CYP3A4MMP14KCNH2
SCHEMBL14252779 0.93 MMP7 (0.81) MMP7MMP13CYP3A4MMP14KCNH2
SCHEMBL6648305 0.92 MMP7 (0.76) MMP7MMP13CYP3A4MMP14KCNH2
SCHEMBL6671340 0.89 MMP7 (0.77) MMP7MMP13CYP3A4MMP14KCNH2
SCHEMBL5883710 0.88 MMP7 (0.72) MMP7MMP13CYP3A4MMP14KCNH2
SCHEMBL5883099 0.88 MMP7 (0.72) MMP7MMP13CYP3A4MMP14KCNH2
SCHEMBL5883961 0.88 MMP7 (0.72) MMP7MMP13CYP3A4MMP14KCNH2
SCHEMBL6645244 0.88 MMP7 (0.73) MMP7MMP13CYP3A4MMP14KCNH2
SCHEMBL6807021 0.87 MMP7 (0.74) MMP7MMP13CYP3A4MMP14KCNH2
SCHEMBL5883512 0.86 MMP7 (1.00) MMP7MMP13CYP3A4MMP14KCNH2

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
US-20040180901-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2004-09-16 US claimed
EP-1417181-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS AstraZeneca AB (SE) 2004-05-12 EP claimed
WO-2003014092-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS ASTRAZENECA AB (SE) 2003-02-20 WO claimed
EP-1417181-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS AstraZeneca AB (SE) 2004-05-12 EP disclosed
WO-2003014092-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS ASTRAZENECA AB (SE) 2003-02-20 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-20040180901-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 MMP7 18/4885MMP13 1/4885CYP3A4 288/4885

“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.