SCHEMBL4809534

SCHEMBL4809534

O=CN(O)C(CS(=O)(=O)N1CCN(c2cc(Cl)ncn2)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.39
CYP3A4 P08684 3/20 0.39
MMP14 P50281 3/20 0.39
MMP7 P09237 1/20 0.39
ADAMTS4 O75173 2/20 0.37
KCNH2 Q12809 2/20 0.37
OGA O60502 1/20 0.36
MMP1 P03956 1/20 0.33
AKT1 P31749 2/20 0.33
SMO Q99835 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LRRK2 Q5S007 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
HTR1A P08908 1/20 0.30

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
SCHEMBL14252769 0.86 CYP3A4 (0.48) MMP13CYP3A4MMP14MMP7ADAMTS4
SCHEMBL4814569 0.85 MMP7 (0.46) MMP13CYP3A4MMP14MMP7ADAMTS4
SCHEMBL14252768 0.81 CYP3A4 (0.59) MMP13CYP3A4MMP7KDM4EPKM
SCHEMBL4814260 0.81 OGA (0.38) OGAAKT1SMOKDM4EALDH1A1
SCHEMBL14252784 0.80 MMP13 (0.63) MMP13CYP3A4MMP14ADAMTS4KCNH2
SCHEMBL7364401 0.80 OGA (0.36) OGAAKT1MEN1KMT2AKDM4E
SCHEMBL4816479 0.76 MMP7 (0.51) MMP13CYP3A4MMP14MMP7ADAMTS4
SCHEMBL7358595 0.75 MMP7 (0.38) MMP13CYP3A4MMP14MMP7ADAMTS4
SCHEMBL4809675 0.74 MMP7 (0.45) MMP13CYP3A4MMP14MMP7ADAMTS4
SCHEMBL14252771 0.74 MMP7 (0.53) MMP13CYP3A4MMP14MMP7ADAMTS4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342020-B2 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-7342020-B2 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-7342020-B2 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2008-03-11 US disclosed
EP-1109787-B1 ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) ASTRAZENECA AB (SE) 2006-05-17 EP disclosed
US-20040171641-A1 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2004-09-02 US disclosed
US-6734184-B1 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2004-05-11 US disclosed
EP-1109787-A1 ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) AstraZeneca AB (SE) 2001-06-27 EP disclosed
WO-2000012478-A1 ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) ASTRAZENECA AB (SE) 2000-03-09 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-20040171641-A1 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) MMP13, MMP25, MMP3 MMP13 1/4885CYP3A4 328/4885MMP14 10/4885

“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.