SCHEMBL5916526

SCHEMBL5916526

O=S(=O)(/C=C\CCCc1ncccn1)N1CCN(c2ccc(C#Cc3ccc(C(F)(F)F)cn3)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.50
▸ MMP13 P45452 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CXCR3 P49682 6/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ PKM P14618 2/20 0.38
▸ F13A1 P00488 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ TGM1 P22735 1/20 0.37
▸ MMP7 P09237 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL5916557 1.00 CYP3A4 (0.50) CYP3A4MMP13KDM4EL3MBTL1CXCR3
SCHEMBL5916529 1.00 CYP3A4 (0.50) CYP3A4MMP13KDM4EL3MBTL1CXCR3
SCHEMBL14259938 0.90 CYP3A4 (0.59) CYP3A4MMP13KDM4EL3MBTL1CXCR3
SCHEMBL5916508 0.85 CYP3A4 (0.40) CYP3A4MMP13KDM4EMMP7
SCHEMBL5916509 0.85 CYP3A4 (0.40) CYP3A4MMP13KDM4EMMP7
SCHEMBL6645919 0.81 MMP7 (0.40) CYP3A4MMP13KDM4ESMN1; SMN2GAA
SCHEMBL5916458 0.81 MMP7 (0.42) CYP3A4MMP13KDM4EL3MBTL1GAA
SCHEMBL5916453 0.81 MMP7 (0.42) CYP3A4MMP13KDM4EL3MBTL1GAA
SCHEMBL5916456 0.81 MMP7 (0.42) CYP3A4MMP13KDM4EL3MBTL1GAA
SCHEMBL6647638 0.80 MMP7 (0.38) CYP3A4MMP13KDM4EL3MBTL1PKM

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-7153857-B2 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2006-12-26 — — US disclosed
US-20060229313-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2006-10-12 — — US disclosed
US-20040220185-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2004-11-04 — — US disclosed
EP-1417201-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS AstraZeneca AB (SE) 2004-05-12 — — EP disclosed
WO-2003014111-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 (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-20060229313-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 CYP3A4 264/4885MMP13 1/4885KDM4E 2014/4885
US-20040220185-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 CYP3A4 277/4885MMP13 1/4885KDM4E 1957/4885

“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.

Send feedback