SCHEMBL4039467

SCHEMBL4039467

O=C(NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-])c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.41
CTSS P25774 5/20 0.35
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
ADAM17 P78536 1/20 0.33
MMP13 P45452 1/20 0.33
USP30 Q70CQ3 2/20 0.33
CTSB P07858 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL4220750 0.90 CTSK (0.40) CTSKCTSSCTSVCTSLMMP2
SCHEMBL4039133 0.90 CTSK (0.51) CTSKCTSSCTSVCTSLUSP30
SCHEMBL4043485 0.90 CTSK (0.41) CTSKCTSSCTSVCTSLMMP13
SCHEMBL4045112 0.90 CTSK (0.40) CTSKCTSSCTSVCTSLUSP30
SCHEMBL4044038 0.88 CTSK (0.54) CTSKCTSSCTSVCTSLMMP2
SCHEMBL4043294 0.88 CTSS (0.44) CTSKCTSSCTSVCTSLMMP2
SCHEMBL4044159 0.88 CTSK (0.44) CTSKCTSSCTSVCTSLMMP2
SCHEMBL4041519 0.85 CTSK (0.42) CTSKCTSSCTSVCTSLCTSB
SCHEMBL6209435 0.84 CTSK (0.42) CTSKCTSSCTSVCTSLMMP2
SCHEMBL4039009 0.84 CTSK (0.41) CTSKCTSSCTSVCTSLMMP2

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
EP-2010186-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-01-07 EP disclosed
WO-2007127382-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-11-08 WO 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 CTSK 2/4885CTSS 3/4885CTSV 29/4885

“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.