SCHEMBL4045068

SCHEMBL4045068

O=C(NC1(C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2ccc[n+]([O-])c2)CCCCC1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 10/20 0.36
MMP1 P03956 8/20 0.36
MMP7 P09237 6/20 0.36
MMP8 P22894 6/20 0.36
MMP9 P14780 4/20 0.35
MMP2 P08253 4/20 0.35
MMP13 P45452 3/20 0.35
MMP14 P50281 2/20 0.35
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP12 P39900 1/20 0.34
MMP16 P51512 1/20 0.34
ADAM17 P78536 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 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
SCHEMBL4039830 0.89 CTSL (0.33) MMP3MMP1MMP7MMP8MMP9
SCHEMBL4041130 0.88 CTSK (0.39) ALDH1A1LMNASMN1; SMN2CTSLCTSB
SCHEMBL4041246 0.87 MMP1 (0.38) MMP3MMP1MMP7MMP8MMP2
SCHEMBL4044150 0.85 MEN1 (0.37) ALDH1A1LMNASMN1; SMN2KDM4ECTSL
SCHEMBL4043751 0.84 CTSK (0.40) ALDH1A1KDM4EPOLBCTSLCTSS
SCHEMBL6211640 0.83 KDM4E (0.33) MMP3MMP1MMP7MMP8MMP9
SCHEMBL6211206 0.82 CHRM4 (0.32) MMP3MMP1MMP7MMP8MMP9
SCHEMBL4045671 0.81 RIPK1 (0.33) MMP13ALDH1A1LMNAKDM4EPOLB
SCHEMBL4042029 0.80 GPR132 (0.38) MMP1MMP2ALDH1A1ADAM17KDM4E
SCHEMBL4041605 0.80 MAPK14 (0.40) MMP3MMP1MMP8MMP9MMP2

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS MMP3 303/4885MMP1 79/4885MMP7 96/4885

“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.