SCHEMBL5492439

SCHEMBL5492439

CCCCCCCOc1ccc(-c2ccc(CC[C@H](CC(=O)OC(C)(C)C)N(Cc3ccccc3)[C@H](C)c3ccccc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.41
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
S1PR5 Q9H228 1/20 0.41
RARB P10826 3/20 0.40
BCHE P06276 3/20 0.39
ACHE P22303 3/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
LMNA P02545 1/20 0.39
PLA2G4B P0C869 1/20 0.38
MMP12 P39900 1/20 0.38

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
SCHEMBL5492443 1.00 S1PR4 (0.41) S1PR4S1PR1S1PR3S1PR5RARB
SCHEMBL7708500 0.86 MEN1 (0.43) S1PR4S1PR1S1PR3S1PR5RARB
SCHEMBL18109338 0.83 CTSK (0.43)
SCHEMBL10310638 0.83 CTSK (0.43)
SCHEMBL15630693 0.83 CTSK (0.43)
SCHEMBL18109336 0.83 CTSK (0.43)
SCHEMBL28067000 0.83 CTSK (0.43)
SCHEMBL15630764 0.78 AKT1 (0.39)
SCHEMBL5495307 0.77 S1PR1 (0.51) S1PR4S1PR1S1PR3S1PR5RARB
SCHEMBL5495309 0.77 S1PR1 (0.51) S1PR4S1PR1S1PR3S1PR5RARB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100816-B1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE BASILEA PHARMACEUTICA AG (CH) 2007-08-08 EP disclosed
EP-1251827-B1 NASALLY ADMINISTRABLE ANTIFUNGAL CYCLIC PEPTIDE COMPOSITIONS BASILEA PHARMACEUTICA AG (CH) 2004-05-26 EP disclosed
US-6489440-B1 Cyclic compounds BASILEA PHARMACEUTICA AG (CH) 2002-12-03 US disclosed
EP-1251827-A2 NASALLY ADMINISTRABLE CYCLIC PEPTIDE COMPOSITIONS Basilea Pharmaceutica AG (CH) 2002-10-30 EP disclosed
US-20010038824-A1 Intranasal cyclic peptide formulations BASILEA PHARMACEUTICA AG (CH) 2001-11-08 US disclosed
WO-2001052894-A2 NASALLY ADMINISTRABLE CYCLIC PEPTIDE COMPOSITIONS BASILEA PHARMACEUTICA AG (CH) 2001-07-26 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-20010038824-A1 Intranasal cyclic peptide formulations VIP, NPPA, SSTR5 S1PR4 574/4885S1PR1 417/4885S1PR3 458/4885

“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.