SCHEMBL4530837

SCHEMBL4530837

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
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
FABP4 P15090 3/20 0.40
FABP3 P05413 2/20 0.40
FABP5 Q01469 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
DPP8 Q6V1X1 1/20 0.36
GAA P10253 2/20 0.35
F10 P00742 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MMP2 P08253 2/20 0.35
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 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
SCHEMBL4526832 0.89 EPHX2 (0.43) EPHX2PSEN1PSEN2APH1BNCSTN
SCHEMBL3825925 0.84 PLAU (0.51) EPHX2PSEN1PSEN2APH1BNCSTN
SCHEMBL3825976 0.82 FABP4 (0.49) EPHX2PSEN1PSEN2APH1BNCSTN
SCHEMBL3831673 0.79 FABP4 (0.47) EPHX2PSEN1PSEN2APH1BNCSTN
SCHEMBL3831668 0.79 FABP4 (0.47) EPHX2PSEN1PSEN2APH1BNCSTN
SCHEMBL4782536 0.77 ALDH1A1 (0.36) ALDH1A1GAANPSR1MMP2ITGB2
SCHEMBL5961946 0.72 EPHX2 (0.51) EPHX2FABP4FABP3FABP5ALDH1A1
SCHEMBL4532058 0.72 POLB (0.51) ALDH1A1GAAMMP2
SCHEMBL17611222 0.70 FABP3 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3828854 0.70 FABP4 (0.40) EPHX2PSEN1PSEN2APH1BNCSTN

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
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

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 1030/4885PSEN1 3544/4885PSEN2 3447/4885

“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.