SCHEMBL4039830

SCHEMBL4039830

O=C(NC1(C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2cccc[n+]2[O-])CCCCC1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.33
CTSB P07858 4/20 0.33
CTSS P25774 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MMP3 P08254 4/20 0.33
MMP1 P03956 4/20 0.33
MMP7 P09237 4/20 0.33
USP30 Q70CQ3 2/20 0.33
MMP8 P22894 2/20 0.32
MMP9 P14780 3/20 0.32
MMP13 P45452 3/20 0.32
MMP2 P08253 2/20 0.32
MMP14 P50281 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM4 P08173 2/20 0.32
FKBP1A P62942 1/20 0.31

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
SCHEMBL4044013 0.89 CTSK (0.39) CTSLCTSBCTSSALDH1A1LMNA
SCHEMBL4045068 0.89 MMP3 (0.36) CTSLCTSBCTSSALDH1A1KDM4E
SCHEMBL4043991 0.86 HDAC1 (0.35) CTSLCTSBCTSSALDH1A1KDM4E
SCHEMBL4043751 0.84 CTSK (0.40) CTSLCTSSALDH1A1KDM4EPOLB
SCHEMBL4041246 0.82 MMP1 (0.38) ALDH1A1KDM4EMMP3MMP1MMP7
SCHEMBL6211640 0.82 KDM4E (0.33) CTSLCTSBCTSSALDH1A1KDM4E
SCHEMBL6211206 0.81 CHRM4 (0.32) CTSLCTSBCTSSALDH1A1KDM4E
SCHEMBL4045671 0.80 RIPK1 (0.33) CTSLCTSBCTSSALDH1A1KDM4E
SCHEMBL4041605 0.80 MAPK14 (0.40) CTSLCTSBCTSSALDH1A1KDM4E
SCHEMBL4042029 0.80 GPR132 (0.38) ALDH1A1KDM4EPOLBMMP1USP30

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-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
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSL 57/4885CTSB 21/4885CTSS 3/4885

“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.