SCHEMBL4044084

SCHEMBL4044084

NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
CTSL P07711 14/20 0.37
CTSK P43235 14/20 0.37
CTSS P25774 13/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
CTSV O60911 1/20 0.37
CTSB P07858 1/20 0.37
ADAM17 P78536 1/20 0.36

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
SCHEMBL4040449 0.88 DPP4 (0.43) DPP4DPP8DPP9KDM4ETSHR
SCHEMBL4048643 0.85 DPP4 (0.42) DPP4DPP8DPP9KDM4ETSHR
SCHEMBL4045825 0.84 DPP4 (0.49) DPP4DPP8DPP9
SCHEMBL4038898 0.84 CTSK (0.42) DPP4CTSLCTSKCTSSCTSV
SCHEMBL4041763 0.84 CTSK (0.45) DPP4DPP8DPP9CTSLCTSK
SCHEMBL4038500 0.83 DPP4 (0.43) DPP4DPP8DPP9CTSLCTSK
SCHEMBL4042769 0.83 DPP4 (0.42) DPP4DPP8DPP9CTSLCTSK
SCHEMBL4040393 0.83 CTSL (0.40) DPP4CTSLCTSKCTSSCTSV
SCHEMBL4040158 0.83 CTSK (0.41) CTSLCTSKCTSSCTSVCTSB
SCHEMBL4041937 0.83 CTSK (0.52) CTSLCTSKCTSSCTSVCTSB

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 DPP4 3448/4885DPP8 947/4885DPP9 1045/4885

“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.