SCHEMBL4451599

SCHEMBL4451599

CC(C)(C)OC(=O)NCCc1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.58
MAOB P27338 3/20 0.52
NR4A2 P43354 1/20 0.50
PARP10 Q53GL7 1/20 0.49
FPR2 P25090 1/20 0.48
HDAC1 Q13547 1/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
KMT2A Q03164 1/20 0.47
NAMPT P43490 1/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL14326995 0.89 CA2 (0.55) EPHX2FPR2CA1CA2NAMPT
SCHEMBL3004957 0.89 FFAR1 (0.55) EPHX2HDAC1KMT2ANAMPTGAA
SCHEMBL9108821 0.88 EPHX2 (0.57) EPHX2FPR2CA1CA2CA12
SCHEMBL4451793 0.88 MAOB (0.56) EPHX2MAOBHDAC1KMT2A
SCHEMBL23291309 0.86 EPHX2 (0.60) EPHX2MAOBHDAC1CA1CA2
SCHEMBL8591195 0.85 MAPT (0.56) NR4A2HDAC1CA1CA2CA12
SCHEMBL13886725 0.84 HDAC8 (0.54) PARP10HDAC1CA1CA2CA12
SCHEMBL13886738 0.83 GLA (0.51) FPR2CA1CA2CA12CA9
SCHEMBL27741033 0.83 ACACB (0.59) EPHX2CA1CA2CA12CA9
SCHEMBL23291142 0.82 CA2 (0.49) CA1CA2CA12CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111747944-B Broad-spectrum anti-enveloped virus compound, composition and application thereof 复旦大学 2022-09-30 CN disclosed
CN-111747944-A Broad-spectrum anti-enveloped virus compound, composition and application thereof 复旦大学 2020-10-09 CN disclosed
US-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 US disclosed
US-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 US disclosed
US-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 US disclosed
US-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 US disclosed
US-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 US disclosed
US-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 US disclosed
US-7339079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-04 US disclosed
US-7339079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-04 US disclosed
US-7339079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-04 US disclosed
US-7321065-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-22 US disclosed
US-7321065-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-22 US disclosed
US-7321065-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-22 US disclosed
US-20060035980-A1 Thyronamine derivatives and analogs and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-02-16 US disclosed
US-6979750-B1 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-27 US disclosed
US-20050267207-A1 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-01 US disclosed
US-20050096485-A1 Thyronamine derivatives and analogs and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-05-05 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-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF TPO, TSHR, THRB EPHX2 933/4885MAOB 124/4885NR4A2 2114/4885
US-20060035980-A1 Thyronamine derivatives and analogs and methods of use thereof TPO, TSHR, THRB EPHX2 1026/4885MAOB 131/4885NR4A2 2050/4885
US-20050096485-A1 Thyronamine derivatives and analogs and methods of use thereof TPO, TSHR, THRB EPHX2 933/4885MAOB 124/4885NR4A2 2114/4885
US-20050267207-A1 Thyronamine derivatives and analogs and methods of use thereof TPO, TSHR, THRB EPHX2 1026/4885MAOB 131/4885NR4A2 2050/4885

“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.