SCHEMBL1081373

SCHEMBL1081373

O=C(O)[C@H](Cc1ccc(O)cc1)NCF

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.54
NAALAD2 Q9Y3Q0 1/20 0.54
ACE P12821 6/20 0.52
SLC7A5 Q01650 1/20 0.51
MME P08473 6/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
ALB P02768 1/20 0.47
IL2 P60568 1/20 0.47

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
SCHEMBL1081372 1.00 FOLH1 (0.54) FOLH1NAALAD2ACESLC7A5MME
SCHEMBL31533362 1.00 FOLH1 (0.54) FOLH1NAALAD2ACESLC7A5MME
SCHEMBL31533361 1.00 FOLH1 (0.54) FOLH1NAALAD2ACESLC7A5MME
SCHEMBL246177 0.87 FOLH1 (0.51) FOLH1NAALAD2ACESLC7A5MME
SCHEMBL20726 0.87 FOLH1 (0.51) FOLH1NAALAD2ACESLC7A5MME
SCHEMBL23704504 0.87 FOLH1 (0.51) FOLH1NAALAD2ACESLC7A5MME
SCHEMBL29746410 0.87 FOLH1 (0.51) FOLH1NAALAD2ACESLC7A5MME
SCHEMBL626035 0.86 MME (0.54) FOLH1NAALAD2ACEMMEMEN1
SCHEMBL4880143 0.86 MME (0.54) FOLH1NAALAD2ACEMMEMEN1
SCHEMBL5560323 0.86 MME (0.54) FOLH1NAALAD2ACEMMEMEN1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US claimed
US-20240033366-A1 FUNCTIONALIZED SHIGA TOXIN B-SUBUNIT (STxB) PROTEINS AND CONJUGATES THEREOF INSTITUT CURIE (FR) 2024-02-01 US disclosed
US-20220226269-A1 METHODS AND COMPOSITIONS FOR MODULATION OF AN INTERSPECIES GUT BACTERIAL PATHWAY FOR LEVODOPA METABOLISM PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2022-07-21 US disclosed
CN-112752740-A Process for the preparation of fluoromethyl-18 labelled radiopharmaceutical agents using selective azide substitution and precursor scavenging BIK治疗公司 2021-05-04 CN disclosed
WO-2020252257-A1 METHODS AND COMPOSITIONS FOR MODULATION OF AN INTERSPECIES GUT BACTERIAL PATHWAY FOR LEVODOPA METABOLISM PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-12-17 WO disclosed
WO-2020059986-A1 METHOD FOR PREPARING FLUORINE-18-LABELED FLUOROMETHYL-SUBSTITUTED RADIOPHARMACEUTICALS USING SELECTIVE AZIDE SUBSTITUTION REACTION AND PRECURSOR SCAVENGING 주식회사 바이오이미징코리아 2020-03-26 WO disclosed
US-20140309424-A1 DIRECT SYNTHESIS OF 18F-FLUOROMETHOXY COMPOUNDS FOR PET IMAGING AND THE PROVISION OF NEW PRECURSORS FOR DIRECT RADIOSYNTHESIS OF PROTECTED DERIVATIVES OF O-([18F] FLUOROMETHYL) TYROSINE PIRAMAL IMAGING SA (CH) 2014-10-16 US disclosed
EP-2751087-A1 DIRECT SYNTHESIS OF 18F-FLUOROMETHOXY COMPOUNDS FOR PET IMAGING AND THE PROVISION OF NEW PRECURSORS FOR DIRECT RADIOSYNTHESIS OF PROTECTED DERIVATIVES OF O-([18F]FLUOROMETHYL)TYROSINE Piramal Imaging SA (CH) 2014-07-09 EP disclosed
EP-2661321-A1 MODULAR SYSTEM FOR RADIOSYNTHESIS WITH MULTI-RUN CAPABILITIES AND REDUCED RISK OF RADIATION EXPOSURE Siemens Medical Solutions USA, Inc. (US) 2013-11-13 EP disclosed
US-20130149243-A1 METHOD FOR PRODUCTION OF F-18 LABELED GLUTAMIC ACID DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 US disclosed
EP-0414730-A4 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS 1993-06-16 EP disclosed
EP-0451422-A1 Pharmaceutically active fluoromethyltyrosine compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1991-10-16 EP disclosed
EP-0451422-A1 Pharmaceutically active fluoromethyltyrosine compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1991-10-16 EP disclosed
EP-0414730-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS Mills, Randell L. (US) 1991-03-06 EP disclosed
WO-1989009833-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS MILLS RANDELL L (US) 1989-10-19 WO disclosed
US-4695588-A DECARBOXYLASE INHIBITORS MERCK & CO., INC. (US) 1987-09-22 US disclosed
EP-0040150-B1 FLUOROMETHYLATED TYROSINE METHYL ESTER MERRELL TORAUDE ET COMPAGNIE (FR) 1983-09-21 EP disclosed
US-4325961-A FLUOROMETHYLHISTIDINE, ESTERS, AND SALTS MERCK & CO., INC. (US) 1982-04-20 US disclosed
US-4288601-A A-FLUOROMETHYL AMINO ACIDS FROM THE A-HYDROXYMETHYL COMPOUND USING SULFUR TETRAFLUORIDE AND BORON TRIFLUORIDE IN HYDROFLUORIC ACID MERCK & CO., INC. (US) 1981-09-08 US disclosed
US-4215221-A A-FLUOROMETHYL AMINO ACIDS FROM THE A-HYDROXYMETHYL COMPOUNDS USING SULFUR TETRAFLUORIDE IN HYDROFLUORIC ACID AND ALUMINUM CHLORIDE MERCK & CO., INC. (US) 1980-07-29 US 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 (4 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-20050080260-A1 Preparation of prodrugs for selective drug delivery APEH, PAH, ALAD FOLH1 427/4885NAALAD2 244/4885ACE 569/4885
US-20240033366-A1 FUNCTIONALIZED SHIGA TOXIN B-SUBUNIT (STxB) PROTEINS AND CONJUGATES THEREOF STXBP1, STX18, SCTR FOLH1 1884/4885NAALAD2 1721/4885ACE 2684/4885
US-20130149243-A1 METHOD FOR PRODUCTION OF F-18 LABELED GLUTAMIC ACID DERIVATIVES GLUL, SLC18A2, SLC1A2 FOLH1 12/4885NAALAD2 112/4885ACE 2298/4885
US-20140309424-A1 DIRECT SYNTHESIS OF 18F-FLUOROMETHOXY COMPOUNDS FOR PET IMAGING AND THE PROVISION OF NEW PRECURSORS FOR DIRECT RADIOSYNTHESIS OF PROTECTED DERIVATIVES OF O-([18F] FLUOROMETHYL) TYROSINE TH, TYR, FTO FOLH1 342/4885NAALAD2 592/4885ACE 1637/4885

“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.