SCHEMBL8448706

SCHEMBL8448706

COC(=O)Cc1ccc(N(C)C)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GFER P55789 1/20 0.46
PDK2 Q15119 1/20 0.45
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
HSP90AB1 P08238 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC7A5 Q01650 1/20 0.38
NOTUM Q6P988 2/20 0.38
SYK P43405 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
PKM P14618 1/20 0.37

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
Hydrochloric Acid SCHEMBL17653926 0.82 RXRA (0.50) GAAALDH1A1LMNAMAPTHPGD
SCHEMBL7714782 0.82 ALDH1A1 (0.43) GAAALDH1A1GFERPDK2CYP4F2
SCHEMBL2642622 0.81 ALDH1A1 (0.49) GAAALDH1A1GFERPDK2CYP4F2
SCHEMBL2126752 0.81 ALDH1A1 (0.60) GAAALDH1A1GFERPDK2CYP4F2
SCHEMBL20214473 0.81 GAA (0.49) GAAALDH1A1GFERPDK2CYP4F2
SCHEMBL8467020 0.81 ALDH1A1 (0.49) GAAALDH1A1GFERPDK2CYP4F2
SCHEMBL20576241 0.79 ALDH1A1 (0.48) GAAALDH1A1GFERPDK2CYP4F2
SCHEMBL1780814 0.79 IDO1 (0.53) GAAALDH1A1GFERPDK2CYP4F2
SCHEMBL2645838 0.78 ALDH1A1 (0.49) GAAALDH1A1GFERPDK2CYP4F2
SCHEMBL14420080 0.78 ALDH1A1 (0.49) GAAALDH1A1GFERPDK2CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2455105-A2 Bombesin analogues Bayer Pharma Aktiengesellschaft (DE) 2012-05-23 EP disclosed
EP-2289564-A2 Derivatives of aniline as precursors for F18-labeling Bayer Schering Pharma Aktiengesellschaft (DE) 2011-03-02 EP disclosed
EP-2279759-A2 Compounds and methods for 18F labeled agents Bayer Schering Pharma Aktiengesellschaft (DE) 2011-02-02 EP disclosed
US-20080292548-A1 COMPOUNDS AND METHODS FOR 18F LABELED AGENTS Lantheus Biosciences Ltd. (GB) 2008-11-27 US disclosed
EP-1985624-A2 Single step method of radiofluorination of biologically active compounds or biomolecules Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-29 EP disclosed
WO-2008028688-A2 COMPOUNDS AND METHODS FOR 18F LABELED AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 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-20080292548-A1 COMPOUNDS AND METHODS FOR 18F LABELED AGENTS QPCT, GBA2, GBA1 GAA 37/4885ALDH1A1 2019/4885GFER 2579/4885

“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.