SCHEMBL95539

SCHEMBL95539

O=COCc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.52
AGXT P21549 2/20 0.52
MAOB P27338 8/20 0.46
MAOA P21397 1/20 0.46
APP P05067 1/20 0.42
NR4A2 P43354 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
PARP10 Q53GL7 1/20 0.41
KMT2A Q03164 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
SCHEMBL27860858 0.90 TSHR (0.43) IDO1AGXTMAOBMAOAKMT2A
SCHEMBL11392894 0.88 CA2 (0.39) IDO1AGXTMAOBMAOACA12
SCHEMBL16706859 0.83 MMP13 (0.46) MAOBMAOAKMT2A
SCHEMBL11316154 0.81 ESR1 (0.42) MAOBMAOACA2CA9KMT2A
SCHEMBL11320245 0.81 IDO1 (0.41) IDO1AGXTCA2CA9
SCHEMBL28132843 0.81 SLC6A2 (0.46) IDO1AGXTMAOBMAOA
SCHEMBL437438 0.79 IDO1 (0.50) IDO1APPCA2KMT2A
SCHEMBL2094074 0.78 TAAR1 (0.45) IDO1AGXTMAOBMAOALOXL2
SCHEMBL3251309 0.77 IDO1 (0.52) IDO1AGXTMAOBMAOACA12
SCHEMBL9881633 0.77 CA2 (0.32) CA2CA9

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 1171 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788353-B1 CAGE AMINE LIGANDS FOR METALLO-RADIOPHARMACEUTICALS Clarity Pharmaceuticals Ltd (AU) 2022-05-18 EP claimed
EP-2137139-B1 PROCESS OF DEACETALISATION OF ALPHA AMINOACETALS CLARIANT SPECIALTY FINE CHEM (FR) 2014-09-10 EP claimed
US-8609882-B2 Process for deacetalisation of α aminoacetals CLARIANT SPECIALITY FINE CHEMICALS (FRANCE) (FR) 2013-12-17 US claimed
US-20100137633-A1 Process For Deacetalisation Of Alpha Aminoacetals CLARIANT SPECIALTY FINE CHEMICALS (FRANCE) (FR) 2010-06-03 US claimed
EP-2137139-A1 PROCESS OF DEACETALISATION OF ALPHA AMINOACETALS Clariant Specialty Fine Chemicals (France) (FR) 2009-12-30 EP claimed
WO-2009032840-A1 FLUORINE- SUBSTITUTED 2 ', 6 ' -DIMETHYL-L-TYROSINE-1, 2,3, 4-TETRAHYDR0IS0QUIN0LINE-3-CARB0XYLIC ACID PEPTIDES (DMT-TIC) FOR USE AS MYU- AND DELTA-OPIOID RECEPTOR PROBES IN THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-03-12 WO claimed
WO-2008125486-A1 PROCESS OF DEACETALISATION OF ALPHA AMINOACETALS CLARIANT SPECIALTY FINE CHEMICALS (FRANCE) (FR) 2008-10-23 WO claimed
US-7432389-B2 Compounds for the treatment of Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US claimed
CN-1305839-C Phenylglycine derivatives HOFFMANN LA ROCHE (CH) 2007-03-21 CN claimed
US-20060287306-A1 Compounds to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-12-21 US claimed
EP-0636142-A1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LIMITED (GB) 1995-02-01 EP claimed
EP-0636144-A1 ALPHA-AMINOBORONIC ACID PEPTIDES AND THEIR USE AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1995-02-01 EP claimed
WO-1993021209-A1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LIMITED (GB) 1993-10-28 WO claimed
WO-1993021210-A1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 WO claimed
WO-1993021213-A1 ALPHA-AMINOBORONIC ACID PEPTIDES AND THEIR USE AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 WO claimed
WO-1993021214-A1 ALPHA-AMINOBORONIC ACID PEPTIDES AND THEIR USE AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 WO claimed
US-5254558-A Substituted 1,3-diazines as leukocyte elastase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US claimed
EP-0528633-A1 Pyrimidinyl acetamides as elastase inhibitors ZENECA LIMITED (GB) 1993-02-24 EP claimed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP claimed
US-4826993-A Substituted diazolidinones ELI LILLY AND COMPANY (US) 1989-05-02 US claimed

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-20100137633-A1 Process For Deacetalisation Of Alpha Aminoacetals ALDH7A1, AADAT, AASDHPPT IDO1 126/4885AGXT 114/4885MAOB 93/4885
US-20060287306-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP IDO1 2371/4885AGXT 197/4885MAOB 67/4885

“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.