SCHEMBL6669600

SCHEMBL6669600

O=C(O)NC(CCCc1ncccn1)CS(=O)(=O)N1CCN(c2cnc(-c3ccc(F)cc3)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
MMP13 P45452 2/20 0.46
MMP7 P09237 1/20 0.46
CTSS P25774 5/20 0.36
TP53 P04637 1/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.34
DCTPP1 Q9H773 1/20 0.34
MMP14 P50281 1/20 0.34
GRM5 P41594 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
CHRM1 P11229 1/20 0.33
HTR1A P08908 1/20 0.33
DRD4 P21917 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
DRD3 P35462 1/20 0.33
HDAC10 Q969S8 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
SCHEMBL6648316 0.91 CYP3A4 (0.50) CYP3A4MMP13MMP7CTSSTP53
SCHEMBL6648864 0.91 CYP3A4 (0.47) CYP3A4MMP13MMP7CTSSTP53
SCHEMBL6807843 0.87 CYP3A4 (0.42) CYP3A4MMP13MMP7TP53KDM4E
SCHEMBL6811956 0.87 CYP3A4 (0.42) CYP3A4MMP13MMP7TP53KDM4E
SCHEMBL5916542 0.85 CYP3A4 (0.48) CYP3A4MMP13MMP7CTSSTP53
SCHEMBL6671345 0.85 MMP7 (0.51) CYP3A4MMP13MMP7CTSSKDM4E
SCHEMBL6674665 0.83 MMP7 (0.50) CYP3A4MMP13MMP7CTSSTP53
SCHEMBL6673023 0.81 SLC6A7 (0.41) CYP3A4MMP13MMP7KDM4ELMNA
SCHEMBL6644967 0.81 MMP7 (0.52) CYP3A4MMP13MMP7CTSSKDM4E
SCHEMBL6806502 0.81 SLC6A7 (0.41) CYP3A4MMP13MMP7KDM4ELMNA

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 6 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
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 CYP3A4 288/4885MMP13 1/4885MMP7 18/4885

“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.