SCHEMBL4043754

SCHEMBL4043754

C=Cc1ccc(C(=O)NC(CCC)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2cccc[n+]2[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.43
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
CCR1 P32246 3/20 0.36
CTSS P25774 3/20 0.34
CTSV O60911 2/20 0.34
CTSL P07711 2/20 0.34
DRD4 P21917 1/20 0.34
PREP P48147 1/20 0.33
FAP Q12884 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
SCHEMBL4043914 0.92 CTSK (0.52) CTSKTAS1R3TAS1R1CCR1CTSS
SCHEMBL4037229 0.91 CTSK (0.45) CTSKCCR1CTSSCTSVCTSL
SCHEMBL6237568 0.91 CTSK (0.46) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4041084 0.90 CTSK (0.45) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4048667 0.90 CTSK (0.54) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4041418 0.89 CTSK (0.48) CTSKCCR1
SCHEMBL4038835 0.89 CTSK (0.47) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4045332 0.89 CTSK (0.43) CTSKTAS1R3TAS1R1CCR1CTSS
SCHEMBL4043438 0.89 CTSK (0.55) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4044159 0.89 CTSK (0.44) CTSKCCR1CTSSCTSVCTSL

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 CTSK 2/4885TAS1R3 2219/4885TAS1R1 2032/4885

“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.