SCHEMBL4043751

SCHEMBL4043751

O=C(NC1(C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2ccccn2)CCCCC1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.40
CTSL P07711 12/20 0.40
CTSS P25774 11/20 0.40
CHRM4 P08173 1/20 0.34
MAPK14 Q16539 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
SMYD3 Q9H7B4 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 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
SCHEMBL4045671 0.89 RIPK1 (0.33) CTSKCTSLCTSSCHRM4MAPK14
SCHEMBL4047319 0.89 CTSK (0.42) CTSKCTSLCTSSSMYD3ALDH1A1
SCHEMBL4041605 0.88 MAPK14 (0.40) CTSKCTSLCTSSCHRM4MAPK14
SCHEMBL4041246 0.87 MMP1 (0.38) NPC1RAB9ASMYD3KDM4EALDH1A1
SCHEMBL4043621 0.85 CTSK (0.39) CTSKCTSLCTSSCHRM4
SCHEMBL6211640 0.85 KDM4E (0.33) CTSKCTSLCTSSCHRM4NPC1
SCHEMBL4041513 0.85 CTSK (0.39) CTSKCTSLCTSSCHRM4MAPK14
SCHEMBL4045068 0.84 MMP3 (0.36) CTSLCTSSKDM4EALDH1A1POLB
SCHEMBL4042029 0.84 GPR132 (0.38) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL6211206 0.84 CHRM4 (0.32) CTSKCTSLCTSSCHRM4KDM4E

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.