SCHEMBL4042769

SCHEMBL4042769

NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.42
DPP8 Q6V1X1 3/20 0.42
DPP9 Q86TI2 3/20 0.42
CTSK P43235 3/20 0.37
CTNNB1 P35222 1/20 0.37
ADAM17 P78536 1/20 0.36
KDM4E B2RXH2 3/20 0.36
TSHR P16473 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
DPP7 Q9UHL4 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CASP1 P29466 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CTSC P53634 1/20 0.34
MAPT P10636 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL4048184 0.84 DPP4 (0.50) DPP4DPP8DPP9DPP7
SCHEMBL4044084 0.83 DPP4 (0.43) DPP4DPP8DPP9CTSKADAM17
SCHEMBL4041496 0.83 CTSK (0.40) DPP4DPP9CTSKKDM4ETSHR
SCHEMBL4040770 0.83 CTSK (0.48) DPP4DPP8DPP9CTSKCTSL
SCHEMBL4045588 0.83 DPP4 (0.44) DPP4DPP8DPP9CTSKDPP7
SCHEMBL4044474 0.83 CTSK (0.42) DPP4CTSKCTSLCTSSL3MBTL1
SCHEMBL4043002 0.83 CTSK (0.45) DPP4DPP9CTSKCTSLCTSS
SCHEMBL4045220 0.82 DPP4 (0.42) DPP4DPP8DPP9CTSKCTSL
SCHEMBL4043363 0.82 DPP4 (0.46) DPP4DPP8DPP9CTSKKDM4E
SCHEMBL4043220 0.81 CTSK (0.48) DPP4CTSKCTSLCTSS

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 4 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

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.