SCHEMBL5565849

SCHEMBL5565849

NC(CI)(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
ESR1 P03372 6/20 0.42
CA2 P00918 2/20 0.42
CAMK2A Q9UQM7 1/20 0.42
ARG1 P05089 1/20 0.42
ARG2 P78540 1/20 0.42
SLC7A5 Q01650 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EGFR P00533 1/20 0.39
CYP1A2 P05177 1/20 0.39
FYN P06241 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL3117439 0.84 BLM (0.61) BLMSMN1; SMN2HIF1AESR1CA2
SCHEMBL10778604 0.84 BLM (0.61) BLMSMN1; SMN2HIF1AESR1CA2
SCHEMBL3117431 0.84 BLM (0.61) BLMSMN1; SMN2HIF1AESR1CA2
SCHEMBL10935109 0.82 BLM (0.64) BLMSMN1; SMN2HIF1AESR1CA2
SCHEMBL4245716 0.82 BLM (0.59) BLMSMN1; SMN2HIF1AESR1CA2
SCHEMBL4245719 0.82 BLM (0.59) BLMSMN1; SMN2HIF1AESR1CA2
SCHEMBL5329866 0.82 BLM (0.64) BLMSMN1; SMN2HIF1AESR1CA2
SCHEMBL22074782 0.82 BLM (0.59) BLMSMN1; SMN2HIF1AESR1CA2
SCHEMBL22033172 0.82 BLM (0.59) BLMSMN1; SMN2HIF1AESR1CA2
SCHEMBL5329860 0.82 BLM (0.64) BLMSMN1; SMN2HIF1AESR1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100581589-C Radiolabeled amino acid analogs, their preparation and use MALLINCKRODT INC 2010-01-20 CN disclosed
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
CN-1674943-A Radiolabeled amino acid analogs, their preparation and use MALLINCKRODT INC (US) 2005-09-28 CN 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 BLM 4365/4885SMN1; SMN2 3049/4885HIF1A 699/4885
US-20060127306-A1 Radioactively labelled amino acid analogues, their preparation and use BCAT1, BCAT2, SLC1A5 BLM 4261/4885SMN1; SMN2 3851/4885HIF1A 209/4885

“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.