Sugi Predict

Sugi Predict / Compounds / SCHEMBL4041513

SCHEMBL4041513

SCHEMBL4041513

O=C(NC1(C(=O)N2CCC3C2C(=O)CN3C(=O)c2ccccn2)CCCCC1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.39
▸ CTSL P07711 3/20 0.39
▸ CTSS P25774 3/20 0.39
▸ CHRM4 P08173 2/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ SLC6A7 Q99884 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ USP30 Q70CQ3 2/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ PLA2G1B P04054 1/20 0.34
▸ ATG4B Q9Y4P1 1/20 0.34
▸ MMP13 P45452 1/20 0.33
▸ PREP P48147 1/20 0.33
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL4047880 0.88 CTSK (0.48) CTSKCTSLCTSSNPC1RAB9A
SCHEMBL4045671 0.87 RIPK1 (0.33) CTSKCTSLCTSSCHRM4MAPK14
SCHEMBL4040806 0.85 CTSK (0.38) CTSKCTSLCTSSCHRM4CTSB
SCHEMBL4043751 0.85 CTSK (0.40) CTSKCTSLCTSSCHRM4MAPK14
SCHEMBL4041605 0.82 MAPK14 (0.40) CTSKCTSLCTSSCHRM4MAPK14
SCHEMBL4037440 0.81 GPR132 (0.43) CHRM4NPC1RAB9AMMP13
SCHEMBL4041949 0.80 CTSL (0.41) CTSKCTSLCTSSMEN1KMT2A
SCHEMBL6211281 0.79 CTSK (0.38) CTSKCTSLCTSSEPHX2PREP
SCHEMBL4041246 0.79 MMP1 (0.38) NPC1RAB9A
SCHEMBL6238275 0.79 CTSL (0.40) CTSKCTSLCTSSNPC1RAB9A

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 CTSK 2/4885CTSL 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.