SCHEMBL4045826

SCHEMBL4045826

NC1(C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)Cc2ccccn2)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
CTSL P07711 4/20 0.34
CTSK P43235 4/20 0.34
CTSS P25774 3/20 0.34
PARP1 P09874 1/20 0.34
HSD11B1 P28845 2/20 0.33
ALDH1A1 P00352 2/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
DPP4 P27487 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 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
SCHEMBL4045821 0.90 PARP1 (0.35) TSHRCTSLCTSKCTSSPARP1
SCHEMBL4047202 0.85 CTSK (0.44) CTSLCTSKCTSS
SCHEMBL4046440 0.83 FKBP1A (0.40)
SCHEMBL4041605 0.81 MAPK14 (0.40) TSHRCTSLCTSKCTSSALDH1A1
SCHEMBL4041121 0.80 ALDH1A1 (0.40) TSHRCTSLCTSKCTSSALDH1A1
SCHEMBL4042575 0.80 DPP4 (0.41) TSHRCTSLCTSKCTSSPARP1
SCHEMBL6208713 0.80 PARP1 (0.36) TSHRPARP1ALDH1A1F2F10
SCHEMBL4042325 0.79 DPP4 (0.40) TSHRCTSLCTSKCTSSPARP1
SCHEMBL4044728 0.79 DPP4 (0.40) CTSLCTSKCTSSPARP1DPP4
SCHEMBL4046221 0.78 DPP4 (0.40) CTSKPARP1ALDH1A1F2DPP4

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 TSHR 1023/4885CTSL 57/4885CTSK 2/4885

“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.