SCHEMBL4046473

SCHEMBL4046473

CCCC(NC(=O)c1ccc(N2CCOCC2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.43
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
CTSS P25774 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCR1 P32246 1/20 0.35
MAPT P10636 1/20 0.35
F10 P00742 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
SCHEMBL4041418 0.94 CTSK (0.48) CTSKCCR1
SCHEMBL4040973 0.92 CTSK (0.52) CTSKCTSVCTSLCTSSALDH1A1
SCHEMBL4037229 0.90 CTSK (0.45) CTSKCTSVCTSLCTSSCCR1
SCHEMBL6237568 0.90 CTSK (0.46) CTSKCTSVCTSLCTSSCCR1
SCHEMBL4042168 0.89 CTSK (0.42) CTSKCTSVCTSLCTSSALDH1A1
SCHEMBL4041084 0.89 CTSK (0.45) CTSKCTSVCTSLCTSSCCR1
SCHEMBL4048667 0.89 CTSK (0.54) CTSKCTSVCTSLCTSSCCR1
SCHEMBL4045332 0.88 CTSK (0.43) CTSKCTSVCTSLCTSSMEN1
SCHEMBL4038835 0.88 CTSK (0.47) CTSKCTSVCTSLCTSSCCR1
SCHEMBL4043438 0.88 CTSK (0.55) CTSKCTSVCTSLCTSSCCR1

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
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

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 2/4885CTSV 29/4885CTSL 57/4885

“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.