SCHEMBL45182

SCHEMBL45182

O=C(OCCOOC(=O)Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.52
BCL9 O00512 1/20 0.49
CTNNB1 P35222 1/20 0.49
GAA P10253 2/20 0.48
MAPT P10636 4/20 0.45
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MGLL Q99685 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
PTPN7 P35236 1/20 0.42
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL409598 0.91 HTR2A (0.59) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL125510 0.86 HTR2A (0.56) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL10062010 0.86 HTR2A (0.56) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL7477346 0.85 HTR2A (0.54) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL763025 0.84 HTR2A (0.57) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL2597458 0.84 MGLL (0.59) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL4433836 0.84 HTR2A (0.56) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL14495241 0.84 HTR2A (0.53) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL409084 0.84 HTR2A (0.56) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL9223114 0.84 HTR2A (0.60) HTR2ABCL9CTNNB1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180237487-A1 LECTIN COMPOSITIONS AND METHODS FOR MODULATING AN IMMUNE RESPONSE TO AN ANTIGEN OPSANITX LLC (US) 2018-08-23 US disclosed
US-9951113-B2 Lectin compositions and methods for modulating an immune response to an antigen OPSANITX LLC (US) 2018-04-24 US disclosed
US-20180015180-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC (CA) 2018-01-18 US disclosed
US-20170088595-A1 LECTIN COMPOSITIONS AND METHODS FOR MODULATING AN IMMUNE RESPONSE TO AN ANTIGEN GENITRIX, LLC 2017-03-30 US disclosed
US-9597394-B2 Lectin compositions and methods for modulating an immune response to an antigen OPSANITX LLC (US) 2017-03-21 US disclosed
EP-2588490-B1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC (CA) 2017-02-22 EP disclosed
US-20160263236-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC (CA) 2016-09-15 US disclosed
US-20150297715-A1 LECTIN COMPOSITIONS AND METHODS FOR MODULATING AN IMMUNE RESPONSE TO AN ANTIGEN GENITRIX, LLC 2015-10-22 US disclosed
US-20150174267-A1 COMPOSITIONS AND METHODS FOR THE TRANSPORT OF THERAPEUTIC AGENTS ANGIOCHEM INC (CA) 2015-06-25 US disclosed
US-8940307-B2 Lectin compositions and methods for modulating an immune response to an antigen OPSANITX LLC (US) 2015-01-27 US disclosed
US-20040039156-A1 Lectin compositions and methods for modulating an immune response to an antigen OPSANITX LLC 2004-02-26 US disclosed
US-6475516-B2 HYDROGEL LOADED WITH LIPOSOMAL THERAPEUTIC AGENT COVALON TECHNOLOGIES INC. (CA) 2002-11-05 US disclosed
US-20020051812-A1 Drug delivery via therapeutic hydrogels DICOSMO FRANK (CA) 2002-05-02 US disclosed
US-20020009485-A1 Drug delivery via therapeutic hydrogels COVALON TECHNOLOGIES INC. (CA) 2002-01-24 US disclosed
US-6228393-B1 HYDROGELS WITH LIPOSOMAL THERAPEUTIC AGENTS SUCH AS ANTIBIOTICS ARE COVALENTLY BONDED TO THE SURFACE OF SUBSTRATES, SUCH AS IN-DWELLING MEDICAL DEVICES, SUCH AS IMPLANTS, CATHETERS, UROTEQ, INC. (CA) 2001-05-08 US disclosed
EP-1079854-A1 COMPOSITIONS AND METHODS OF MODULATING AN IMMUNE RESPONSE TO AN ANTIGEN Genitrix LLC (US) 2001-03-07 EP disclosed
US-6132765-A VEHICLE FOR EFFECTING DRUG DELIVERY FROM SOLID SUBSTRATE; USEFUL IN TREATMENT AND PREVENTION OF BIOFILM MEDIATED INFECTION OFTEN ASSOCIATED WITH THE USE OF IN-DWELLING MEDICAL DEVICES, E.G. IMPLANTS, CATHETERS UROTEQ INC. (CA) 2000-10-17 US disclosed
EP-0984798-A2 DRUG DELIVERY VIA THERAPEUTIC HYDROGELS Uroteq Inc. (CA) 2000-03-15 EP disclosed
WO-1999061051-A1 COMPOSITIONS AND METHODS OF MODULATING AN IMMUNE RESPONSE TO AN ANTIGEN GENITRIX, LCC (US) 1999-12-02 WO disclosed
WO-1998046287-A2 DRUG DELIVERY VIA THERAPEUTIC HYDROGELS UROTEQ INC. (CA) 1998-10-22 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 (3 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-20180015180-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF SLC43A1, SLC7A5, DNPEP HTR2A 3416/4885BCL9 590/4885CTNNB1 4456/4885
US-20160263236-A1 SHORT AND D-AMINO ACID-CONTAINING POLYPEPTIDES FOR THERAPEUTIC CONJUGATES AND USES THEREOF SLC43A1, SLC7A5, DNPEP HTR2A 3416/4885BCL9 590/4885CTNNB1 4456/4885
US-20150174267-A1 COMPOSITIONS AND METHODS FOR THE TRANSPORT OF THERAPEUTIC AGENTS GBA1, SLC47A1, GAA HTR2A 4465/4885BCL9 1086/4885CTNNB1 4537/4885

“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.