SCHEMBL4042575

SCHEMBL4042575

NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
CTSL P07711 5/20 0.36
CTSS P25774 5/20 0.36
CTSK P43235 4/20 0.36
HPGD P15428 2/20 0.36
RECQL P46063 1/20 0.36
CTSV O60911 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GCK P35557 1/20 0.34
TSHR P16473 1/20 0.34
F2 P00734 2/20 0.33
USP19 O94966 1/20 0.33
PARP1 P09874 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
HRH2 P25021 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
SCHEMBL4042325 0.96 DPP4 (0.40) DPP4CTSLCTSSCTSKMEN1
SCHEMBL4043607 0.88 CTSL (0.45) DPP4CTSLCTSSCTSKCTSV
SCHEMBL4044728 0.87 DPP4 (0.40) DPP4CTSLCTSSCTSKCTSV
SCHEMBL4046221 0.86 DPP4 (0.40) DPP4CTSKF2PARP1ALDH1A1
SCHEMBL4042163 0.85 DPP4 (0.40) DPP4CTSLCTSSCTSKRECQL
SCHEMBL4041446 0.84 FKBP1A (0.39)
SCHEMBL4042026 0.84 DPP4 (0.46) DPP4
SCHEMBL4044945 0.83 DPP4 (0.41) DPP4
SCHEMBL4038660 0.83 REN (0.40) CTSLCTSSCTSK
SCHEMBL4038898 0.83 CTSK (0.42) DPP4CTSLCTSSCTSKCTSV

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 3448/4885CTSL 57/4885CTSS 3/4885

“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.