SCHEMBL4043324

SCHEMBL4043324

CCCC(NC(=O)c1ccc(-n2ccnc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.40
KDM1A O60341 1/20 0.38
UBE2N P61088 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.34
ADRB1 P08588 1/20 0.34
CTSS P25774 4/20 0.34
CTSV O60911 3/20 0.34
CTSL P07711 3/20 0.34
CTSB P07858 3/20 0.34
ROCK2 O75116 1/20 0.34
P2RY12 Q9H244 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HSD11B1 P28845 1/20 0.33
DNMT3B Q9UBC3 1/20 0.33
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
CA12 O43570 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
SCHEMBL4037567 0.92 CTSK (0.48) CTSKKDM1AUBE2NTDP1GFER
SCHEMBL4044537 0.90 CTSK (0.41) CTSKKDM1AUBE2NTDP1GFER
SCHEMBL4039333 0.89 CTSK (0.40) CTSKKDM1AUBE2NTDP1GFER
SCHEMBL6274440 0.88 CTSK (0.48) CTSKKDM1AKMT2ACTSSCTSV
SCHEMBL4045150 0.88 CTSK (0.44) CTSKKMT2ACTSSCTSVCTSL
SCHEMBL4040448 0.87 CTSK (0.49) CTSK
SCHEMBL4042168 0.87 CTSK (0.42) CTSKKMT2ACTSSCTSVCTSL
SCHEMBL4039713 0.86 CTSK (0.45) CTSKCTSSCTSVCTSLP2RY12
SCHEMBL4038812 0.86 CTSK (0.54) CTSKCTSSCTSVCTSLP2RY12
SCHEMBL4208152 0.86 CTSK (0.39) CTSKKDM1AUBE2NTDP1GFER

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 2/4885KDM1A 3980/4885UBE2N 2416/4885

“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.