SCHEMBL6800841

SCHEMBL6800841

O=CN(O)C(CCc1ncccn1)CS(=O)(=O)N1CCN(c2ncc(-c3ccccc3F)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 1/20 0.57
MMP13 P45452 5/20 0.57
CYP3A4 P08684 3/20 0.57
MMP14 P50281 4/20 0.45
ADAMTS4 O75173 3/20 0.45
KCNH2 Q12809 3/20 0.45
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
MMP1 P03956 3/20 0.34
FEN1 P39748 4/20 0.33
ALOX5AP P20292 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 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
SCHEMBL6673020 0.89 MMP7 (0.57) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL6806495 0.89 MMP7 (0.57) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL6703175 0.88 MMP7 (0.61) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL6808740 0.86 MMP7 (0.53) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL6807839 0.84 MMP7 (0.65) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL6807846 0.84 MMP7 (0.65) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL6648549 0.83 CYP3A4 (0.40) MMP7MMP13CYP3A4DRD2DRD4
SCHEMBL6646070 0.83 MMP7 (0.60) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL6644519 0.83 MMP7 (0.66) MMP7MMP13CYP3A4MMP14ADAMTS4
SCHEMBL13923650 0.81 MMP13 (0.61) MMP7MMP13CYP3A4MMP14ADAMTS4

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-20040180901-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2004-09-16 US claimed
US-20040180901-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2004-09-16 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-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.