SCHEMBL3825976

SCHEMBL3825976

CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CC2C(=O)O)c(C(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 6/20 0.49
FABP3 P05413 2/20 0.49
FABP5 Q01469 1/20 0.49
ALDH1A1 P00352 1/20 0.46
EPHX2 P34913 1/20 0.46
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
DPP8 Q6V1X1 1/20 0.38
GAA P10253 1/20 0.38
HDAC1 Q13547 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PLAU P00749 3/20 0.34
PLG P00747 2/20 0.34

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
SCHEMBL3831668 0.87 FABP4 (0.47) FABP4FABP3FABP5ALDH1A1EPHX2
SCHEMBL3831673 0.87 FABP4 (0.47) FABP4FABP3FABP5ALDH1A1EPHX2
SCHEMBL5961946 0.85 EPHX2 (0.51) FABP4FABP3FABP5ALDH1A1EPHX2
SCHEMBL4530837 0.82 EPHX2 (0.44) FABP4FABP3FABP5ALDH1A1EPHX2
SCHEMBL3825925 0.79 PLAU (0.51) ALDH1A1EPHX2PSEN1PSEN2APH1B
SCHEMBL4526832 0.78 EPHX2 (0.43) FABP4FABP3FABP5ALDH1A1EPHX2
SCHEMBL3828854 0.72 FABP4 (0.40) FABP4FABP3FABP5ALDH1A1EPHX2
SCHEMBL5717023 0.71 FKBP1A (0.52) ALDH1A1EPHX2
SCHEMBL86091 0.67 FABP4 (1.00) FABP4FABP3FABP5ALDH1A1EPHX2
SCHEMBL8989764 0.66 FABP4 (0.69) FABP4FABP3FABP5ALDH1A1EPHX2

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 7 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 claimed
US-20090022664-A1 Radiolabelling via fluorination of aziridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-22 US claimed
WO-2008083729-A1 RADIOLABELLING VIA FLUORINATION OF AZIRIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-17 WO claimed
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
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

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 FABP4 2380/4885FABP3 983/4885FABP5 1004/4885

“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.