SCHEMBL3828852

SCHEMBL3828852

COC(=O)CCC(=O)N1CC2C(C1)N2S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
FABP4 P15090 2/20 0.38
DPP8 Q6V1X1 1/20 0.38
FABP3 P05413 1/20 0.38
FABP5 Q01469 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
PLG P00747 8/20 0.35
PLAU P00749 8/20 0.35
F10 P00742 5/20 0.35
ST14 Q9Y5Y6 5/20 0.35
F2 P00734 4/20 0.35
GAA P10253 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
SCHEMBL3828854 0.88 FABP4 (0.40) EPHX2FABP4DPP8FABP3FABP5
SCHEMBL3826729 0.86 DPP8 (0.35) EPHX2FABP4DPP8FABP3FABP5
SCHEMBL3829057 0.80 SMN1; SMN2 (0.46) DPP8ALDH1A1PSEN1PSEN2APH1B
SCHEMBL13964831 0.74 PLAU (0.43) PLGPLAUF10ST14F2
SCHEMBL4526832 0.72 EPHX2 (0.43) EPHX2FABP4DPP8FABP3FABP5
SCHEMBL3825976 0.67 FABP4 (0.49) EPHX2FABP4DPP8FABP3FABP5
SCHEMBL3831668 0.66 FABP4 (0.47) EPHX2FABP4DPP8FABP3FABP5
SCHEMBL3831673 0.66 FABP4 (0.47) EPHX2FABP4DPP8FABP3FABP5
SCHEMBL17611077 0.66 FABP3 (0.50) FABP4FABP3FABP5ALDH1A1PSEN1
SCHEMBL4530837 0.65 EPHX2 (0.44) EPHX2FABP4DPP8FABP3FABP5

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-2099747-A1 RADIOLABELLING VIA FLUORINATION OF AZIRIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-09-16 EP disclosed
US-20090022664-A1 Radiolabelling via fluorination of aziridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-22 US disclosed
US-20090022664-A1 Radiolabelling via fluorination of aziridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-22 US disclosed
US-20090022664-A1 Radiolabelling via fluorination of aziridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-22 US disclosed
WO-2008083729-A1 RADIOLABELLING VIA FLUORINATION OF AZIRIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-17 WO disclosed
WO-2008083729-A1 RADIOLABELLING VIA FLUORINATION OF AZIRIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-17 WO disclosed
EP-1944288-A1 Radiolabelling via fluorination of aziridines Bayer Schering Pharma Aktiengesellschaft (DE) 2008-07-16 EP disclosed
EP-1944288-A1 Radiolabelling via fluorination of aziridines Bayer Schering Pharma Aktiengesellschaft (DE) 2008-07-16 EP 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-20090022664-A1 Radiolabelling via fluorination of aziridines TMEM14C, ARFGEF1, NPFFR1 EPHX2 1030/4885FABP4 2380/4885DPP8 2960/4885

“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.