SCHEMBL5492383

SCHEMBL5492383

CCCCCOc1ccc(CCCC[C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 5/20 0.46
CASP3 P42574 3/20 0.46
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MDM2 Q00987 1/20 0.42
TNF P01375 2/20 0.42
FFAR1 O14842 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL5492459 0.92 TLR2 (0.47) TLR2CASP3MDM2TNFITGB3
SCHEMBL30353581 0.87 CASP3 (0.55) TLR2CASP3MDM2TNF
SCHEMBL28413990 0.87 CASP3 (0.55) TLR2CASP3MDM2TNF
SCHEMBL5492436 0.81 TLR2 (0.43) TLR2CASP3MMP1MMP3MMP9
SCHEMBL14279917 0.81 CASP3 (0.59) TLR2CASP3MDM2
SCHEMBL31276542 0.80 CASP3 (0.55) CASP3MDM2
SCHEMBL14332393 0.80 CASP3 (0.55) CASP3MDM2
SCHEMBL22960722 0.80 CASP3 (0.55) CASP3MDM2
SCHEMBL3590765 0.80 CASP3 (0.55) CASP3MDM2
SCHEMBL30055762 0.80 CASP3 (0.55) CASP3MDM2

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-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
EP-1100816-A1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE F. HOFFMANN-LA ROCHE AG (CH) 2001-05-23 EP disclosed
WO-2000005251-A1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE F. HOFFMANN-LA ROCHE AG (CH) 2000-02-03 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 TLR2 1906/4885CASP3 2874/4885MMP1 960/4885

“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.