SCHEMBL13494176

SCHEMBL13494176

O=C(ON1C(=O)CCC1=O)c1cc2cc(F)c(O)c(F)c2oc1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 10/20 0.39
▸ MAOB P27338 3/20 0.34
▸ MAOA P21397 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SLC16A3 O15427 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ USP2 O75604 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HSD17B10 Q99714 1/20 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
SCHEMBL21316425 0.87 MEN1 (0.35) GPR35MAOBMAOAMEN1KMT2A
SCHEMBL31114132 0.84 MAOA (0.40) GPR35MAOBMAOAMEN1KMT2A
SCHEMBL21316426 0.84 MEN1 (0.34) GPR35MAOBMAOAMEN1KMT2A
SCHEMBL12038326 0.83 MEN1 (0.33) GPR35MAOBMAOAMEN1KMT2A
SCHEMBL18712548 0.82 MEN1 (0.35) GPR35MAOBMAOAMEN1KMT2A
SCHEMBL12038332 0.80 MAOB (0.34) GPR35MAOBMAOAMEN1KMT2A
SCHEMBL31114267 0.80 GPR35 (0.44) GPR35MAOBMAOAMEN1KMT2A
SCHEMBL12038299 0.79 MEN1 (0.39) GPR35MAOBMAOAMEN1KMT2A
SCHEMBL25443859 0.79 GPR35 (0.44) GPR35MAOBMAOAMEN1KMT2A
SCHEMBL17942944 0.78 MAOB (0.38) MAOBMAOAALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139550-B2 Fluorescence dye tagging scheme for mercury quantification and speciation LOS GATOS RESEARCH (US) 2015-09-22 — — US claimed
US-20130040393-A1 FLUORESCENCE DYE TAGGING SCHEME FOR MERCURY QUANTIFICATION AND SPECIATION LOS GATOS RESEARCH (US) 2013-02-14 — — US claimed
WO-2022136402-A1 METHODS AND COMPOSITIONS FOR NUCLEIC ACID SEQUENCING ILLUMINA CAMBRIDGE LIMITED (GB) 2022-06-30 — — WO disclosed
US-20220195518-A1 METHODS AND COMPOSITIONS FOR NUCLEIC ACID SEQUENCING ILLUMINA CAMBRIDGE LIMITED (GB) 2022-06-23 — — US disclosed
US-20210285953-A1 POLYMERIC DYES HAVING A BACKBONE COMPRISING ORGANOPHOSPHATE UNITS Sony Group Corporation (JP) 2021-09-16 — — US disclosed
US-10399964-B2 Coumarin-linked taxanes for detection and circumvention of cellular efflux THE UNIVERSITY OF KANSAS (US) 2019-09-03 — — US disclosed
US-20170097333-A1 CELL BASED ASSAY TO MEASURE THE T-CELL STIMULATING CAPACITY OF ANTI-LAG3 ANTIBODIES AND OTHER AGENTS MERCK SHARP & DOHME CORP. (US) 2017-04-06 — — US disclosed
US-20170097333-A1 CELL BASED ASSAY TO MEASURE THE T-CELL STIMULATING CAPACITY OF ANTI-LAG3 ANTIBODIES AND OTHER AGENTS MERCK SHARP & DOHME CORP. (US) 2017-04-06 — — US disclosed
US-9139550-B2 Fluorescence dye tagging scheme for mercury quantification and speciation LOS GATOS RESEARCH (US) 2015-09-22 — — US disclosed
US-20150125904-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-05-07 — — US disclosed
US-20150125904-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-05-07 — — US disclosed
WO-2014200872-A9 PHARMACEUTICAL COMPOUNDS TARGETED BY MIF AFFINITY-TETHERED MOIETIES RJS BIOLOGICS LLC (US) 2015-02-05 — — WO disclosed
WO-2014200872-A1 PHARMACEUTICAL COMPOUNDS TARGETED BY MIF AFFINITY-TETHERED MOIETIES RJS BIOLOGICS LLC (US) 2014-12-18 — — WO disclosed
WO-2013148189-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-03 — — WO disclosed
US-20130040393-A1 FLUORESCENCE DYE TAGGING SCHEME FOR MERCURY QUANTIFICATION AND SPECIATION LOS GATOS RESEARCH (US) 2013-02-14 — — US disclosed
US-20100029017-A1 Mono-chlorinated hydroxycoumarin conjugates BECTON, DICKINSON AND COMPANY 2010-02-04 — — US disclosed
US-20100029017-A1 Mono-chlorinated hydroxycoumarin conjugates BECTON, DICKINSON AND COMPANY 2010-02-04 — — US disclosed
US-20090156825-A1 Fluorescent compounds that bind to histone deacetylase MERCK SHARP & DOHME CORP. 2009-06-18 — — US disclosed
US-20090156825-A1 Fluorescent compounds that bind to histone deacetylase MERCK SHARP & DOHME CORP. 2009-06-18 — — 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-20090156825-A1 Fluorescent compounds that bind to histone deacetylase HDAC1, HDAC3, HDAC11 GPR35 2920/4885MAOB 2637/4885MAOA 2749/4885
US-10399964-B2 Coumarin-linked taxanes for detection and circumvention of cellular efflux SLC6A1, ABCB11, SLC6A11 GPR35 1637/4885MAOB 1947/4885MAOA 2863/4885
US-20100029017-A1 Mono-chlorinated hydroxycoumarin conjugates CLSPN, CLTC, HACD3 GPR35 3783/4885MAOB 3474/4885MAOA 3032/4885
US-20170097333-A1 CELL BASED ASSAY TO MEASURE THE T-CELL STIMULATING CAPACITY OF ANTI-LAG3 ANTIBODIES AND OTHER AGENTS ICOS, CD4, NFATC1 GPR35 455/4885MAOB 4579/4885MAOA 4370/4885

“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.

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