SCHEMBL5548812

SCHEMBL5548812

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](CCCCN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPOR P19235 4/20 0.42
ANPEP P15144 1/20 0.38
F2 P00734 2/20 0.37
MMP2 P08253 2/20 0.36
MMP9 P14780 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
TLR2 O60603 2/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
DPP7 Q9UHL4 1/20 0.34
LTA4H P09960 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
SCHEMBL4738904 1.00 EPOR (0.42) EPORANPEPF2MMP2MMP9
SCHEMBL8893033 0.94 CYP1A2 (0.37) EPORCYP1A2TSHR
SCHEMBL8892535 0.94 CYP1A2 (0.37) EPORCYP1A2TSHR
Trifluoroacetic Acid SCHEMBL4359902 0.94 EPOR (0.38) EPORANPEPF2MMP2MMP9
Trifluoroacetic Acid SCHEMBL4355575 0.91 EPOR (0.36) EPORANPEPF2TLR2DPP7
SCHEMBL25182246 0.91 PRSS1 (0.37) TLR2
SCHEMBL25179548 0.89 CYP1A2 (0.34) EPORCYP1A2TSHR
SCHEMBL1000116 0.89 BCHE (0.37) CYP1A2TSHR
SCHEMBL1000114 0.89 BCHE (0.37) CYP1A2TSHR
SCHEMBL8158096 0.89 BCHE (0.37) CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718340-B1 NEW EFFECTOR CONJUGATES, PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE BAYER SCHERING PHARMA AG (DE) 2007-11-21 EP disclosed
EP-1718340-A2 NEW EFFECTOR CONJUGATES, PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE Schering AG (DE) 2006-11-08 EP disclosed
US-20050234247-A1 New effector conjugates, process for their production and their pharmaceutical use SCHERING AG (DE) 2005-10-20 US disclosed
WO-2005074901-A2 NEW EFFECTOR CONJUGATES, PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE SCHERING AG (DE) 2005-08-18 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-20050234247-A1 New effector conjugates, process for their production and their pharmaceutical use EPOR, TIE1, TEK EPOR 1/4885ANPEP 949/4885F2 1270/4885

“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.