SCHEMBL6671345

SCHEMBL6671345

O=C(O)NC(CCCc1ncccn1)CS(=O)(=O)N1CCN(c2ccc(-c3ccccn3)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 1/20 0.51
CYP3A4 P08684 1/20 0.49
MMP13 P45452 1/20 0.49
CNR2 P34972 1/20 0.44
CTSS P25774 6/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.38
SMO Q99835 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
SLC6A7 Q99884 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 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
SCHEMBL6644919 0.91 MMP7 (0.53) MMP7CYP3A4MMP13CNR2CTSS
SCHEMBL6648316 0.89 CYP3A4 (0.50) MMP7CYP3A4MMP13CTSSKDM4E
SCHEMBL6674665 0.89 MMP7 (0.50) MMP7CYP3A4MMP13CTSSKDM4E
SCHEMBL6645250 0.87 MMP7 (0.48) MMP7CYP3A4MMP13CTSSKDM4E
SCHEMBL6649539 0.87 MMP7 (0.48) MMP7CYP3A4MMP13CTSSKDM4E
SCHEMBL6669600 0.85 CYP3A4 (0.46) MMP7CYP3A4MMP13CTSSKDM4E
SCHEMBL5916542 0.82 CYP3A4 (0.48) MMP7CYP3A4MMP13CTSSKDM4E
SCHEMBL6811956 0.81 CYP3A4 (0.42) MMP7CYP3A4MMP13KDM4EALDH1A1
SCHEMBL6807843 0.81 CYP3A4 (0.42) MMP7CYP3A4MMP13KDM4EALDH1A1
SCHEMBL6647516 0.81 MMP7 (0.44) MMP7CYP3A4MMP13CNR2CTSS

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 4 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
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 18/4885CYP3A4 288/4885MMP13 1/4885

“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.