SCHEMBL4044118

SCHEMBL4044118

CCCC(NC(=O)OCc1ccccc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.43
HTRA1 Q92743 1/20 0.42
CTSL P07711 9/20 0.42
CTSS P25774 6/20 0.42
CTSB P07858 4/20 0.42
TGM2 P21980 2/20 0.40
P2RX7 Q99572 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39

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
SCHEMBL4037862 0.92 CTSK (0.51) CTSKHTRA1CTSLCTSSCTSB
SCHEMBL4044545 0.89 CTSK (0.41) CTSKCTSLCTSSCTSBTGM2
SCHEMBL4044695 0.88 CTSK (0.36) CTSK
SCHEMBL4038871 0.87 CTSK (0.42) CTSKCTSLCTSSCTSBTGM2
SCHEMBL6274440 0.85 CTSK (0.48) CTSKCTSLCTSS
SCHEMBL4046677 0.85 CTSK (0.34) CTSKCTSS
SCHEMBL4045249 0.85 CTSK (0.36) CTSKTGM2
SCHEMBL4047781 0.84 CTSK (0.42) CTSKCTSLCTSSCTSBDPP4
SCHEMBL4039142 0.84 CTSK (0.45) CTSKCTSLCTSS
SCHEMBL4046811 0.84 CTSK (0.33) 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 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 2/4885HTRA1 2004/4885CTSL 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.