SCHEMBL4596966

SCHEMBL4596966

O=S(=O)(O)c1cc(O)c(/N=N/c2ccc3ccccc3c2O)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 12/20 1.00
CTRC Q99895 2/20 1.00
CYP1A2 P05177 4/20 0.74
CYP2C9 P11712 3/20 0.74
TSHR P16473 2/20 0.74
CYP2C19 P33261 2/20 0.74
HSD17B10 Q99714 2/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2D6 P10635 1/20 0.74
HPGD P15428 1/20 0.74
ALOX15 P16050 1/20 0.74
ALOX12 P18054 1/20 0.74
CSNK2A1 P68400 1/20 0.74
CTRB1 P17538 1/20 0.70
NSD2 O96028 1/20 0.69
MMP14 P50281 1/20 0.69
CASP6 P55212 1/20 0.69
PRMT1 Q99873 1/20 0.58
PTPRA P18433 1/20 0.54
PTPRB P23467 1/20 0.54

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
SCHEMBL4596970 1.00 MPL (1.00) MPLCTRCCYP1A2CYP2C9TSHR
SCHEMBL12206631 0.90 MPL (0.81) MPLCTRCCYP1A2CYP2C9TSHR
SCHEMBL12459388 0.88 MPL (0.78) MPLCTRCCYP1A2CYP2C9TSHR
Eriochrome Blue Black B SCHEMBL18281602 0.88 MPL (0.78) MPLCTRCCYP1A2CYP2C9TSHR
Eriochrome Blue Black B SCHEMBL29923948 0.88 MPL (0.78) MPLCTRCCYP1A2CYP2C9TSHR
Eriochrome Blue Black B SCHEMBL591901 0.88 MPL (0.78) MPLCTRCCYP1A2CYP2C9TSHR
SCHEMBL7247118 0.87 MPL (1.00) MPLCTRCCYP1A2CYP2C9TSHR
SCHEMBL30371538 0.87 MPL (1.00) MPLCTRCCYP1A2CYP2C9TSHR
SCHEMBL29362358 0.87 MPL (1.00) MPLCTRCCYP1A2CYP2C9TSHR
SCHEMBL3010602 0.87 MPL (1.00) MPLCTRCCYP1A2CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210278381-A1 COMPOSITIONS, APPARATUS, AND METHODS FOR DETERMINING HARDNESS OF WATER AND MAGNESIUM ION IN AN ANALYTE COMPOSITION Water Lens, LLC 2021-09-09 US claimed
US-10845346-B2 Compositions, apparatus, and methods for determining hardness of water and magnesium ion in an analyte composition Water Lens, LLC (US) 2020-11-24 US claimed
US-20180156763-A1 COMPOSITIONS, APPARATUS, AND METHODS FOR DETERMINING HARDNESS OF WATER AND MAGNESIUM ION IN AN ANALYTE COMPOSITION Water Lens, LLC 2018-06-07 US claimed
WO-2016196207-A1 COMPOSITIONS, APPARATUS, AND METHODS FOR DETERMINING HARDNESS OF WATER AND MAGNESIUM ION IN AN ANALYTE COMPOSITION WATER LENS, LLC. (US) 2016-12-08 WO claimed
US-6670387-B1 Thrombocytopenia; hydroxy-1-azo-naphthalene derivatives; 3-hydroxy-4-((2-hydroxy-1-naphthalenyl)azo-)-1-naphthalenesul fonic acid; promoters of thrombopoiesis and megakaryocytopoi esis; enhancing platelet production; agonizing TPO receptor SMITHKLINE BEECHAM CORPORATION 2003-12-30 US claimed
US-20250123252-A1 COMPOSITIONS, APPARATUS, AND METHODS FOR DETERMINING HARDNESS OF WATER AND MAGNESIUM ION IN AN ANALYTE COMPOSITION Water Lens, LLC 2025-04-17 US disclosed
US-11885783-B2 Compositions, apparatus, and methods for determining hardness of water and magnesium ion in an analyte composition Water Lens, LLC (US) 2024-01-30 US disclosed
US-20210278381-A1 COMPOSITIONS, APPARATUS, AND METHODS FOR DETERMINING HARDNESS OF WATER AND MAGNESIUM ION IN AN ANALYTE COMPOSITION Water Lens, LLC 2021-09-09 US disclosed
US-20210002329-A1 STRUCTURE-BASED PEPTIDE INHIBITORS OF ALPHA-SYNUCLEIN AGGREGATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-01-07 US disclosed
US-10845346-B2 Compositions, apparatus, and methods for determining hardness of water and magnesium ion in an analyte composition Water Lens, LLC (US) 2020-11-24 US disclosed
US-10815271-B2 Structure-based peptide inhibitors of alpha-synuclein aggregation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-10-27 US disclosed
US-10400010-B2 Structure-based peptide inhibitors of P53 aggregation as a new approach to cancer therapeutics THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-03 US disclosed
US-7531319-B2 Array for rapid detection of a microorganism KIMBERLY-CLARK WORLDWIDE, INC. (US) 2009-05-12 US disclosed
US-20090111088-A1 RAPID ASSESSMENT OF UPPER RESPIRATORY CONDITIONS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2009-04-30 US disclosed
US-20080145316-A1 Skin coating with microbial indicator KIMBERLY-CLARK WORLDWIDE, INC. 2008-06-19 US disclosed
US-20080057532-A1 Method for detecting Candida on skin KIMBERLY-CLARK WORLDWIDE, INC. 2008-03-06 US disclosed
US-20080057533-A1 Array for rapid detection of a microorganism KIMBERLY-CLARK WORLDWIDE, INC. 2008-03-06 US disclosed
EP-1351979-B1 REGULATED ACTIVATION OF CELL-MEMBRANE RECEPTORS BY METAL-CHELATING AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-01-16 EP disclosed
US-20040053299-A1 Regulated activation of cell-membrane receptors by metal-chelating agonists SMITHKLINE BEECHAM CORPORATION 2004-03-18 US disclosed
US-6670387-B1 Thrombocytopenia; hydroxy-1-azo-naphthalene derivatives; 3-hydroxy-4-((2-hydroxy-1-naphthalenyl)azo-)-1-naphthalenesul fonic acid; promoters of thrombopoiesis and megakaryocytopoi esis; enhancing platelet production; agonizing TPO receptor SMITHKLINE BEECHAM CORPORATION 2003-12-30 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 (5 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-20040053299-A1 Regulated activation of cell-membrane receptors by metal-chelating agonists CASR, TRPM8, TRPM6 MPL 349/4885CTRC 2199/4885CYP1A2 4794/4885
US-20210002329-A1 STRUCTURE-BASED PEPTIDE INHIBITORS OF ALPHA-SYNUCLEIN AGGREGATION SNCA, PARK7, IAPP MPL 3787/4885CTRC 353/4885CYP1A2 4876/4885
US-10815271-B2 Structure-based peptide inhibitors of alpha-synuclein aggregation SNCA, PARK7, IAPP MPL 3787/4885CTRC 353/4885CYP1A2 4876/4885
US-20080145316-A1 Skin coating with microbial indicator CUTA, S100A8, STING1 MPL 861/4885CTRC 483/4885CYP1A2 1657/4885
US-10400010-B2 Structure-based peptide inhibitors of P53 aggregation as a new approach to cancer therapeutics TP53, TP53BP1, API5 MPL 4700/4885CTRC 436/4885CYP1A2 4856/4885

“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.