SCHEMBL1766181

SCHEMBL1766181

NCCCCCC(=O)OC(=O)O.O=C1C=CC(=O)N1CC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.36
PTGS2 P35354 4/20 0.36
GLA P06280 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
TRPA1 O75762 4/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
POLB P06746 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
NAAA Q02083 2/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
WRN Q14191 1/20 0.31
HIF1A Q16665 1/20 0.31
OPRL1 P41146 2/20 0.31

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
SCHEMBL45794 0.86 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL20661164 0.83 PTGS1 (0.35) PTGS1PTGS2ALDH1A1CYP1A2HPGD
SCHEMBL19326880 0.77 PTGS1 (0.32) PTGS1PTGS2ALDH1A1CYP1A2HPGD
Bicarbonate SCHEMBL2319198 0.76 TRPA1 (0.46) PTGS1PTGS2TRPA1OPRL1
Cyclohexane SCHEMBL3760865 0.76 LMNA (0.50) SIGMAR1ITGB3ITGA2BNAAAALDH1A1
Monoethanolamine SCHEMBL28054142 0.75 TDP1 (0.40) GLATDP1TRPA1BACE1CYP1A2
SCHEMBL4426720 0.75 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL19176752 0.73 CYP1B1 (0.45) TRPA1BACE1ALDH1A1HPGDBLM
SCHEMBL1275809 0.73 CYP1B1 (0.45) TRPA1BACE1ALDH1A1HPGDBLM
SCHEMBL21419553 0.73 CYP1B1 (0.45) TRPA1BACE1ALDH1A1HPGDBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2249873-B1 CONJUGATED MOLECULES COMPRISING A PEPTIDE DERIVED FROM THE CD4 RECEPTOR COUPLED TO A POLYANION FOR THE TREATMENT OF AIDS PASTEUR INSTITUT (FR) 2016-11-16 EP claimed
EP-2478049-B1 A POLYMER SUPPORT UNIV CAPE TOWN (ZA) 2015-02-25 EP claimed
EP-1813614-B1 Cytotoxic agents comprising new tomaymycin derivatives SANOFI SA (FR) 2011-10-05 EP claimed
US-20240091315-A1 XTEN CONJUGATE COMPOSITIONS AND METHODS OF MAKING SAME AMUNIX PHARMACEUTICALS, INC. 2024-03-21 US disclosed
CN-112999362-B Stable antibody drug coupling and preparation method and application thereof 启德医药科技(苏州)有限公司 2023-11-14 CN disclosed
US-20210322518-A1 XTEN CONJUGATE COMPOSITIONS AND METHODS OF MAKING SAME AMUNIX PHARMACEUTICALS, INC. 2021-10-21 US disclosed
US-10172953-B2 XTEN conjugate compositions and methods of making same AMUNIX OPERATING INC. (US) 2019-01-08 US disclosed
US-20150037359-A1 XTEN CONJUGATE COMPOSITIONS AND METHODS OF MAKING SAME Amunix Operating, Inc. (US) 2015-02-05 US disclosed
EP-2819788-A2 XTEN CONJUGATE COMPOSITIONS AND METHODS OF MAKING SAME Amunix Operating Inc. (US) 2015-01-07 EP disclosed
WO-2013130683-A2 XTEN CONJUGATE COMPOSITIONS AND METHODS OF MAKING SAME AMUNIX OPERATING INC. (US) 2013-09-06 WO disclosed
WO-2013130684-A1 XTEN-FOLATE CONJUGATE COMPOSITIONS AND METHODS OF MAKING SAME AMUNIX OPERATING INC. (US) 2013-09-06 WO disclosed
EP-2320942-A2 DIAGNOSTIC ANTIBODY ASSAY Probiodrug AG (DE) 2011-05-18 EP disclosed
EP-2018559-A1 FUNCTIONALIZATION OF GOLD NANOPARTICLES WITH ORIENTED PROTEINS. APPLICATION TO THE HIGH-DENSITY LABELLING OF CELL MEMBRANES Centre National de la Recherche Scientifique (CNRS) (FR) 2009-01-28 EP disclosed
WO-2007122259-A1 FUNCTIONALIZATION OF GOLD NANOPARTICLES WITH ORIENTED PROTEINS. APPLICATION TO THE HIGH-DENSITY LABELLING OF CELL MEMBRANES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-11-01 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 (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-20150037359-A1 XTEN CONJUGATE COMPOSITIONS AND METHODS OF MAKING SAME XPA, TXLNA, NGLY1 PTGS1 3385/4885PTGS2 3374/4885GLA 856/4885
US-10172953-B2 XTEN conjugate compositions and methods of making same XPA, TXLNA, NGLY1 PTGS1 3385/4885PTGS2 3374/4885GLA 856/4885
US-20210322518-A1 XTEN CONJUGATE COMPOSITIONS AND METHODS OF MAKING SAME XPA, TXLNA, NGLY1 PTGS1 3385/4885PTGS2 3374/4885GLA 856/4885
US-20240091315-A1 XTEN CONJUGATE COMPOSITIONS AND METHODS OF MAKING SAME XPA, TXLNA, NGLY1 PTGS1 3385/4885PTGS2 3374/4885GLA 856/4885

“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.