SCHEMBL5560323

SCHEMBL5560323

O=C(O)C(Cc1ccccc1)NCF

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.54
NPSR1 Q6W5P4 1/20 0.53
CYP1A2 P05177 1/20 0.52
NAALAD2 Q9Y3Q0 2/20 0.51
MMP2 P08253 4/20 0.50
MMP9 P14780 3/20 0.50
ACE P12821 1/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FOLH1 Q04609 1/20 0.50
ADAMTS4 O75173 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL626035 1.00 MME (0.54) MMENPSR1CYP1A2NAALAD2MMP2
SCHEMBL4880143 1.00 MME (0.54) MMENPSR1CYP1A2NAALAD2MMP2
SCHEMBL1081373 0.86 FOLH1 (0.54) MMENAALAD2ACEL3MBTL1FOLH1
SCHEMBL31533361 0.86 FOLH1 (0.54) MMENAALAD2ACEL3MBTL1FOLH1
SCHEMBL31533362 0.86 FOLH1 (0.54) MMENAALAD2ACEL3MBTL1FOLH1
SCHEMBL1081372 0.86 FOLH1 (0.54) MMENAALAD2ACEL3MBTL1FOLH1
SCHEMBL12207239 0.85 MME (0.57) MMENPSR1CYP1A2NAALAD2MMP2
SCHEMBL7596254 0.85 MME (0.57) MMENPSR1CYP1A2NAALAD2MMP2
SCHEMBL23925862 0.83 MME (0.56) MMENPSR1CYP1A2NAALAD2MMP2
SCHEMBL73955 0.83 MME (0.56) MMENPSR1CYP1A2NAALAD2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63148991-A None JP disclosed
WO-2023164676-A1 METHODS TO GENERATE NOVEL ACYL-TRNA SPECIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-31 WO disclosed
CN-112533936-B Method for purifying peptide using sulfonic acid compound 长濑产业株式会社 2022-03-01 CN disclosed
CN-112533936-A Method for purifying peptide using sulfonic acid compound 长濑产业株式会社 2021-03-19 CN disclosed
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
JP-S63148991-A PRODUCTION OF FLUOROMETHYL GROUP-CONTAINING PHENYLALANINE DERIVATIVE ASAHI GLASS CO LTD 1988-06-21 JP 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 MME 1466/4885NPSR1 1051/4885CYP1A2 575/4885
US-20060127306-A1 Radioactively labelled amino acid analogues, their preparation and use BCAT1, BCAT2, SLC1A5 MME 2181/4885NPSR1 477/4885CYP1A2 150/4885

“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.