SCHEMBL3829057

SCHEMBL3829057

CC(C)c1cc(C(C)C)c(S(=O)(=O)N2C3CN(C(=O)CCC(=O)NCc4ccccc4)CC32)c(C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
PLAU P00749 5/20 0.45
PLAT P00750 2/20 0.45
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
F10 P00742 4/20 0.43
DPP8 Q6V1X1 1/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
F2 P00734 3/20 0.40
PLG P00747 3/20 0.40
ST14 Q9Y5Y6 3/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
LMNA P02545 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39

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
SCHEMBL13964831 0.85 PLAU (0.43) PLAUPLATF10F2PLG
SCHEMBL3828854 0.83 FABP4 (0.40) PLAUPLATALDH1A1F10DPP8
SCHEMBL13964843 0.81 PLAU (0.44) SMN1; SMN2PLAUPLATALDH1A1L3MBTL1
SCHEMBL3826016 0.81 PLAU (0.44) SMN1; SMN2PLAUPLATALDH1A1L3MBTL1
SCHEMBL3828852 0.80 EPHX2 (0.40) PLAUALDH1A1F10DPP8GAA
SCHEMBL3825925 0.77 PLAU (0.51) PLAUPLATALDH1A1F10PKM
SCHEMBL3826729 0.74 DPP8 (0.35) PLAUALDH1A1F10DPP8F2
SCHEMBL3832832 0.69 PLAU (0.44) PLAUPLATF10F2PLG
SCHEMBL13964837 0.69 PLAU (0.44) PLAUPLATF10F2PLG
SCHEMBL23052182 0.65 KEAP1 (0.50) SMN1; SMN2ALDH1A1L3MBTL1F10GAA

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 SMN1; SMN2 2801/4885PLAU 4306/4885PLAT 3836/4885

“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.