SCHEMBL5565834

SCHEMBL5565834

NC(Cc1ccccc1CCF)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.55
PKM P14618 2/20 0.55
ALPI P09923 1/20 0.55
PTGS1 P23219 1/20 0.55
XIAP P98170 1/20 0.55
NOS3 P29474 3/20 0.54
NOS1 P29475 3/20 0.54
NOS2 P35228 3/20 0.54
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
BLM P54132 2/20 0.49
PMP22 Q01453 2/20 0.49
KMT2A Q03164 2/20 0.49
HIF1A Q16665 2/20 0.49
MPO P05164 1/20 0.49
TSHR P16473 1/20 0.49
USP2 O75604 2/20 0.46
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL9939601 0.88 PKM (0.56) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL13971424 0.87 SLC7A5 (0.69) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL9164980 0.87 SLC7A5 (0.69) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL5560021 0.86 SLC7A5 (0.58) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL31217711 0.86 SLC7A5 (0.58) SLC7A5PKMALPIPTGS1XIAP
Hydrochloric Acid SCHEMBL9169793 0.85 SLC7A5 (0.67) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL20513564 0.84 SLC7A5 (0.60) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL30404131 0.84 SLC7A5 (0.60) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL1818794 0.84 SLC7A5 (0.60) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL1818793 0.84 SLC7A5 (0.60) SLC7A5PKMALPIPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189383-B2 Radioactively labelled amino acid analogues, their preparation and use MALLINCKRODT INC. 2007-03-13 US claimed
US-20060127306-A1 Radioactively labelled amino acid analogues, their preparation and use VRIJE UNIVERSITEIT BRUSSEL (BE) 2006-06-15 US claimed
EP-1539250-A1 RADIOACTIVELY LABELLED AMINO ACID ANALOGUES, THEIR PREPARATION AND USE Mallinckrodt Inc. (US) 2005-06-15 EP claimed
WO-2004110500-A1 RADIOACTIVELY LABELLED AMINO ACID ANALOGUES, THEIR PREPARATION AND USE MALLINCKRODT INC. (US) 2004-12-23 WO claimed
US-20070081941-A1 F-18 Labeled Amino Acid Analogs MALLINCKRODT INC. (US) 2007-04-12 US disclosed
US-7189383-B2 Radioactively labelled amino acid analogues, their preparation and use MALLINCKRODT INC. 2007-03-13 US disclosed
US-20060127306-A1 Radioactively labelled amino acid analogues, their preparation and use VRIJE UNIVERSITEIT BRUSSEL (BE) 2006-06-15 US disclosed
EP-1539250-A1 RADIOACTIVELY LABELLED AMINO ACID ANALOGUES, THEIR PREPARATION AND USE Mallinckrodt Inc. (US) 2005-06-15 EP disclosed
WO-2004110500-A1 RADIOACTIVELY LABELLED AMINO ACID ANALOGUES, THEIR PREPARATION AND USE MALLINCKRODT INC. (US) 2004-12-23 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 (2 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-20070081941-A1 F-18 Labeled Amino Acid Analogs BCAT1, BCAT2, SLC1A5 SLC7A5 9/4885PKM 2584/4885ALPI 4550/4885
US-20060127306-A1 Radioactively labelled amino acid analogues, their preparation and use BCAT1, BCAT2, SLC1A5 SLC7A5 8/4885PKM 2774/4885ALPI 4168/4885

“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.