SCHEMBL2054822

SCHEMBL2054822

O=C(NCc1ccc(CO)cc1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.50
NR1H4 Q96RI1 1/20 0.46
HDAC6 Q9UBN7 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
HDAC1 Q13547 1/20 0.43
PTPRZ1 P23471 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PIN1 Q13526 1/20 0.42
RIPK1 Q13546 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
TPSAB1 Q15661 1/20 0.40

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
SCHEMBL506307 0.85 MTOR (0.54) EPHX2NR1H4HDAC6SMN1; SMN2CA1
SCHEMBL20289377 0.83 TGM2 (0.54) EPHX2NR1H4HDAC6SMN1; SMN2CA1
SCHEMBL2250967 0.83 EPHX2 (0.51) EPHX2NR1H4HDAC6SMN1; SMN2CA1
SCHEMBL7767276 0.83 MEN1 (0.63) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL1312566 0.83 EPHX2 (0.44) EPHX2NR1H4HDAC6SMN1; SMN2CA1
SCHEMBL23254961 0.83 TPSAB1 (0.61) EPHX2NR1H4HDAC6SMN1; SMN2CA1
SCHEMBL15013037 0.83 SMN1; SMN2 (0.56) EPHX2NR1H4SMN1; SMN2ALDH1A1POLB
SCHEMBL16357712 0.83 HDAC6 (0.46) EPHX2NR1H4HDAC6SMN1; SMN2CA1
SCHEMBL2098729 0.83 EPHX2 (0.44) EPHX2NR1H4HDAC6SMN1; SMN2CA1
SCHEMBL7850276 0.83 RIPK1 (0.49) EPHX2NR1H4HDAC6SMN1; SMN2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246913-A1 2-CARBOXYL-INDOLE INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2024-07-25 US disclosed
EP-4347563-A1 2-CARBOXYL-INDOLE INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2024-04-10 EP disclosed
US-20230137943-A1 PHOTOPROXIMITY PROFILING OF PROTEIN-PROTEIN INTERACTIONS IN CELLS THE UNIVERSITY OF CHICAGO 2023-05-04 US disclosed
US-20230137943-A1 PHOTOPROXIMITY PROFILING OF PROTEIN-PROTEIN INTERACTIONS IN CELLS THE UNIVERSITY OF CHICAGO 2023-05-04 US disclosed
US-20230137943-A1 PHOTOPROXIMITY PROFILING OF PROTEIN-PROTEIN INTERACTIONS IN CELLS THE UNIVERSITY OF CHICAGO 2023-05-04 US disclosed
EP-3763717-B1 PYRIDO[4,3-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS LILLY CO ELI (US) 2023-03-08 EP disclosed
WO-2022248887-A1 2-CARBOXYL-INDOLE INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2022-12-01 WO disclosed
US-11400130-B2 Inhibitors for proliferating cell nuclear antigen and uses PURDUE RESEARCH FOUNDATION (US) 2022-08-02 US disclosed
EP-4031550-A1 PHOTOPROXIMITY PROFILING OF PROTEIN-PROTEIN INTERACTIONS IN CELLS The University of Chicago (US) 2022-07-27 EP disclosed
CN-114728970-A Optical proximity analysis of protein-protein interactions in cells 芝加哥大学 2022-07-08 CN disclosed
US-20070243568-A1 Specific Substrates for O6-Alkylguanine-Dna Alkyltransferase EPFL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2007-10-18 US disclosed
US-20070213279-A1 O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE INACTIVATORS AND BETA-GLUCURONIDASE CLEAVABLE PRODRUGS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE 2007-09-13 US disclosed
EP-1730298-A1 SPECIFIC SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE EPFL Ecole Polytechnique Fédérale de Lausanne (CH) 2006-12-13 EP disclosed
WO-2006114409-A1 PYRIMIDINES REACTING WITH O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE COVALYS BIOSCIENCES AG (CH) 2006-11-02 WO disclosed
WO-2005085470-A9 SPECIFIC SUBSTRATES FOR O6- ALKYLGUANINE-DNA ALKYLTRANSFERASE EPFL ECOLE POLYTECHNIQUE FEDERALE LAUSANNE (CH) 2006-10-05 WO disclosed
US-20060024775-A1 Substrates for o6-alkylguanina-dna alkyltransferase ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL). (CH) 2006-02-02 US disclosed
WO-2005085470-A1 SPECIFIC SUBSTRATES FOR O6- ALKYLGUANINE-DNA ALKYLTRANSFERASE EPFL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2005-09-15 WO disclosed
EP-1546371-A1 SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2005-06-29 EP disclosed
WO-2004031405-A1 SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2004-04-15 WO disclosed
EP-0747355-A1 NOVEL CARBAMATE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-12-11 EP 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 (6 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-11400130-B2 Inhibitors for proliferating cell nuclear antigen and uses MKI67, PCNA, PCLAF EPHX2 3869/4885NR1H4 1406/4885HDAC6 661/4885
US-20240246913-A1 2-CARBOXYL-INDOLE INHIBITORS OF METALLO-BETA-LACTAMASES IDO2, IDO1, COMT EPHX2 1256/4885NR1H4 3204/4885HDAC6 1714/4885
US-20060024775-A1 Substrates for o6-alkylguanina-dna alkyltransferase AGT, OGG1, NUDT1 EPHX2 1281/4885NR1H4 2500/4885HDAC6 4605/4885
US-20070213279-A1 O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE INACTIVATORS AND BETA-GLUCURONIDASE CLEAVABLE PRODRUGS UNG, OGG1, MPG EPHX2 1320/4885NR1H4 2510/4885HDAC6 3223/4885
US-20230137943-A1 PHOTOPROXIMITY PROFILING OF PROTEIN-PROTEIN INTERACTIONS IN CELLS PPIA, S100A4, S100A6 EPHX2 3127/4885NR1H4 4505/4885HDAC6 3643/4885
US-20070243568-A1 Specific Substrates for O6-Alkylguanine-Dna Alkyltransferase AGT, AGXT, AGTR1 EPHX2 1205/4885NR1H4 1297/4885HDAC6 4570/4885

“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.