Sugi Predict

Sugi Predict / Compounds / SCHEMBL4041605

SCHEMBL4041605

SCHEMBL4041605

O=C(NC1(C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)Cc2ccccn2)CCCCC1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.40
▸ NPC1 O15118 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ CTSL P07711 3/20 0.34
▸ CTSS P25774 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ RAB9A P51151 3/20 0.33
▸ MMP1 P03956 2/20 0.33
▸ MMP2 P08253 2/20 0.33
▸ MMP3 P08254 2/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ MMP8 P22894 2/20 0.33
▸ MMP14 P50281 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SLC5A7 Q9GZV3 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
SCHEMBL4041121 0.89 ALDH1A1 (0.40) NPC1ALDH1A1CTSLCTSSRAB9A
SCHEMBL4043751 0.88 CTSK (0.40) MAPK14NPC1ALDH1A1CTSLCTSS
SCHEMBL4043452 0.87 GPR132 (0.42) NPC1RAB9AMMP13CHRM4
SCHEMBL4045671 0.86 RIPK1 (0.33) MAPK14NPC1ALDH1A1CTSLCTSS
SCHEMBL4043068 0.86 HDAC1 (0.36) CTSLCTSSCTSBTSHRLMNA
SCHEMBL4041246 0.83 MMP1 (0.38) NPC1ALDH1A1KDM4ERAB9AMMP1
SCHEMBL4041513 0.82 CTSK (0.39) MAPK14NPC1CTSLCTSSCTSB
SCHEMBL4045826 0.81 TSHR (0.35) ALDH1A1CTSLCTSSKDM4ETSHR
SCHEMBL4042029 0.81 GPR132 (0.38) NPC1ALDH1A1KDM4EPOLBRAB9A
SCHEMBL4045068 0.80 MMP3 (0.36) ALDH1A1CTSLCTSSKDM4EPOLB

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 9 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
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 — — 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 MAPK14 3342/4885NPC1 787/4885ALDH1A1 4151/4885

“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.