SCHEMBL724360

SCHEMBL724360

N[C@H](C(=O)O)C(c1ccc(O)cc1[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.39
GRM8 O00222 1/20 0.39
CYP1A2 P05177 3/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
BACE1 P56817 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PDK1 Q15118 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
KCNMA1 Q12791 1/20 0.34
CASP6 P55212 1/20 0.34

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
SCHEMBL16816921 1.00 GRM4 (0.39) GRM4GRM8CYP1A2MEN1CYP3A4
Water SCHEMBL6956683 0.99 GRM8 (0.38) GRM4GRM8CYP1A2MEN1CYP3A4
SCHEMBL457188 0.75 TDP1 (0.40) GRM4GRM8CYP1A2MEN1KMT2A
SCHEMBL7678184 0.75 TDP1 (0.40) GRM4GRM8CYP1A2MEN1KMT2A
SCHEMBL4924646 0.73 BACE1 (0.41) GRM4GRM8MEN1KMT2ABACE1
SCHEMBL4030499 0.71 GRM8 (0.54) GRM4GRM8CYP1A2MEN1CYP3A4
SCHEMBL872295 0.71 BACE1 (0.39) GRM4GRM8MEN1KMT2ABACE1
SCHEMBL385176 0.70 GRIA2 (0.51) CYP1A2MEN1CYP3A4KMT2ANPSR1
SCHEMBL385177 0.70 GRIA2 (0.51) CYP1A2MEN1CYP3A4KMT2ANPSR1
SCHEMBL9682909 0.69 CRHBP (0.42) CYP1A2MEN1KMT2ABACE1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4127157-B1 MODIFIED DIPEPTIDE CLEAVASES, USES THEREOF AND RELATED KITS ENCODIA INC (US) 2026-02-11 EP claimed
US-20240025949-A1 Beta-Arrestin Effectors and Compositions and Methods of Use Thereof TREVENA, INC. 2024-01-25 US claimed
US-20240011009-A1 MODIFIED DIPEPTIDE CLEAVASES, USES THEREOF AND RELATED KITS Encodia, Inc. (US) 2024-01-11 US claimed
US-20230220589-A1 POLYPEPTIDE TERMINAL BINDERS AND USES THEREOF Encodia, Inc. (US) 2023-07-13 US claimed
EP-4127157-A1 MODIFIED DIPEPTIDE CLEAVASES, USES THEREOF AND RELATED KITS Encodia, Inc. (US) 2023-02-08 EP claimed
WO-2022072560-A1 POLYPEPTIDE TERMINAL BINDERS AND USES THEREOF Encodia, Inc. (US) 2022-04-07 WO claimed
WO-2021216529-A1 β-ARRESTIN EFFECTORS AND COMPOSITIONS AND METHODS OF USE THEREOF TREVENA, INC. (US) 2021-10-28 WO claimed
US-20210324005-A1 Beta-Arrestin Effectors and Compositions and Methods of Use Thereof TREVENA, INC. 2021-10-21 US claimed
WO-2021194908-A1 MODIFIED DIPEPTIDE CLEAVASES, USES THEREOF AND RELATED KITS Encodia, Inc. (US) 2021-09-30 WO claimed
US-20180016301-A1 Synthesis of Beta-Arrestin Effectors FOREST LABORATORIES HOLDINGS LIMITED (BM) 2018-01-18 US claimed
US-8993511-B2 β-arrestin effectors and compositions and methods of use thereof TREVENA, INC. (US) 2015-03-31 US claimed
US-20140357562-A1 Beta-Arrestin Effectors And Compositions And Methods Of Use Thereof TREVENA, INC. 2014-12-04 US claimed
US-20140336123-A1 Beta-Arrestin Effectors And Compositions And Methods Of Use Thereof TREVENA, INC. 2014-11-13 US claimed
US-8809260-B2 β-arrestin effectors and compositions and methods of use thereof TREVENA, INC. (US) 2014-08-19 US claimed
EP-2662079-A1 Uses of formulations of thyroid hormone antagonists and nanoparticulate forms thereof to increase chemosensivity and radiosensitivity in tumor or cancer cells Ordway Research Institute, Inc. (US) 2013-11-13 EP claimed
US-20130274176-A1 BETA-ARRESTIN EFFECTORS AND COMPOSITIONS AND METHODS OF USE THEREOF TREVENA, INC. (US) 2013-10-17 US claimed
US-20120315320-A1 USES OF FORMULATIONS OF THYROID HORMONE ANALOGS AND NANOPARTICULATE FORMS THEREOF TO INCREASE CHEMOSENSIVITY AND RADIOSENSITIVITY IN TUMOR OR CANCER CELLS NANOPHARMACEUTICALS LLC 2012-12-13 US claimed
EP-2376101-A2 ß-ARRESTIN EFFECTORS AND COMPOSITIONS AND METHODS OF USE THEREOF Trevena, Inc. (US) 2011-10-19 EP claimed
US-20100184701-A1 Beta-Arrestin Effectors And Compositions And Methods Of Use Thereof TREVENA, INC. 2010-07-22 US claimed
WO-2010077339-A2 β-ARRESTIN EFFECTORS AND COMPOSITIONS AND METHODS OF USE THEREOF TREVENA, INC. (US) 2010-07-08 WO 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 (8 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-20180016301-A1 Synthesis of Beta-Arrestin Effectors ARRB1, ADRB1, ADRB3 GRM4 1186/4885GRM8 936/4885CYP1A2 4454/4885
US-20140336123-A1 Beta-Arrestin Effectors And Compositions And Methods Of Use Thereof ARRB1, ADRB1, ADRB3 GRM4 1630/4885GRM8 1494/4885CYP1A2 4473/4885
US-20210324005-A1 Beta-Arrestin Effectors and Compositions and Methods of Use Thereof ARRB1, ADRB1, FGB GRM4 2119/4885GRM8 1765/4885CYP1A2 4688/4885
US-20130274176-A1 BETA-ARRESTIN EFFECTORS AND COMPOSITIONS AND METHODS OF USE THEREOF ARRB1, ADRB1, ADRB3 GRM4 1630/4885GRM8 1494/4885CYP1A2 4473/4885
US-20140357562-A1 Beta-Arrestin Effectors And Compositions And Methods Of Use Thereof ARRB1, ADRB1, ADRB3 GRM4 1630/4885GRM8 1494/4885CYP1A2 4473/4885
US-20120315320-A1 USES OF FORMULATIONS OF THYROID HORMONE ANALOGS AND NANOPARTICULATE FORMS THEREOF TO INCREASE CHEMOSENSIVITY AND RADIOSENSITIVITY IN TUMOR OR CANCER CELLS TSHR, TPO, THRA GRM4 2709/4885GRM8 4335/4885CYP1A2 4049/4885
US-20240025949-A1 Beta-Arrestin Effectors and Compositions and Methods of Use Thereof ARRB1, FGB, SARS1 GRM4 2196/4885GRM8 1815/4885CYP1A2 4703/4885
US-20100184701-A1 Beta-Arrestin Effectors And Compositions And Methods Of Use Thereof ARRB1, ADRB1, ADRB3 GRM4 1630/4885GRM8 1494/4885CYP1A2 4473/4885

“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.