SCHEMBL4039258

SCHEMBL4039258

C=Cc1ccc(C(=O)NC(CCC)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)Cc2ccccn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.42
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
PREP P48147 2/20 0.37
FAP Q12884 2/20 0.37
CCR1 P32246 3/20 0.36
CTSS P25774 4/20 0.34
CTSL P07711 3/20 0.34
CTSV O60911 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
SLC5A7 Q9GZV3 1/20 0.33
CCKBR P32239 1/20 0.33
CTSB P07858 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
SCHEMBL4039454 0.92 CTSK (0.51) CTSKTAS1R3TAS1R1CTSSCTSL
SCHEMBL4053232 0.92 CTSK (0.48) CTSKPREPFAPCCR1CTSS
SCHEMBL4041378 0.91 CTSK (0.44) CTSKPREPFAPCCR1CTSS
SCHEMBL4039999 0.90 CTSK (0.54) CTSKPREPFAPCCR1CTSS
SCHEMBL4040706 0.90 CTSK (0.45) CTSKPREPFAPCCR1CTSS
SCHEMBL4042420 0.89 CTSK (0.46) CTSKPREPFAPCCR1CTSS
SCHEMBL4042848 0.89 CTSK (0.54) CTSKPREPFAPCCR1CTSS
SCHEMBL4044041 0.89 CTSK (0.43) CTSKTAS1R3TAS1R1PREPFAP
SCHEMBL4042711 0.89 CTSK (0.44) CTSKTAS1R3TAS1R1PREPFAP
SCHEMBL4040968 0.89 CTSK (0.47) CTSK

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 8 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
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.