SCHEMBL4444782

SCHEMBL4444782

CCOC(=O)C=CC1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 1/20 0.43
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 6/20 0.39
HCAR2 Q8TDS4 1/20 0.39
TSHR P16473 4/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4444779 1.00 HTT (0.51) HTTL3MBTL1TP53GAAMAPT
SCHEMBL17126990 0.81 HCAR2 (0.43) L3MBTL1GAAMAPTNPSR1ALDH1A1
SCHEMBL27726560 0.81 TP53 (0.44) HTTL3MBTL1TP53MAPTNPSR1
SCHEMBL13393848 0.81 TP53 (0.44) HTTL3MBTL1TP53MAPTNPSR1
SCHEMBL18828565 0.81 HCAR2 (0.52) L3MBTL1MAPTNPSR1ALDH1A1HCAR2
SCHEMBL7512242 0.81 HCAR2 (0.52) L3MBTL1MAPTNPSR1ALDH1A1HCAR2
SCHEMBL7512241 0.81 HCAR2 (0.52) L3MBTL1MAPTNPSR1ALDH1A1HCAR2
SCHEMBL13886420 0.79 TP53 (0.43) HTTL3MBTL1TP53MAPTNPSR1
SCHEMBL27747318 0.79 TP53 (0.43) HTTL3MBTL1TP53MAPTNPSR1
SCHEMBL10073830 0.79 HCAR2 (0.47) L3MBTL1MAPTNPSR1ALDH1A1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111993-A1 Process for Preparing Beta-(Fluorophenyl)-Propanoate Ester Derivatives ASTRAZENECA AB (SE) 2009-04-30 US disclosed
EP-1951652-A1 PROCESS FOR PREPARING BETA- (FLUOROPHENYL) -PROPANOATE ESTER DERIVATIVES Astra Zeneca AB (SE) 2008-08-06 EP disclosed
WO-2007057643-A1 PROCESS FOR PREPARING BETA- (FLUOROPHENYL) -PROPANOATE ESTER DERIVATIVES ASTRAZENECA AB (SE) 2007-05-24 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-20090111993-A1 Process for Preparing Beta-(Fluorophenyl)-Propanoate Ester Derivatives ADH1A, ADH1C, ADH5 HTT 4820/4885L3MBTL1 4831/4885TP53 4184/4885

“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.