SCHEMBL1096002

SCHEMBL1096002

O=C(O)C(O)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
GRM8 O00222 1/20 0.51
GRM6 O15303 1/20 0.51
GRM4 Q14833 1/20 0.51
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
RECQL P46063 1/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMO O15229 1/20 0.49
KDM6B O15054 1/20 0.49
CYP1A2 P05177 1/20 0.48
MEN1 O00255 1/20 0.47
DDX3X O00571 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL2830701 0.87 TSHR (0.57) TSHRGRM8GRM6GRM4ALDH1A1
SCHEMBL44004 0.83 GRM8 (0.63) TSHRGRM8GRM6GRM4KMO
SCHEMBL29616010 0.83 GRM8 (0.63) TSHRGRM8GRM6GRM4KMO
SCHEMBL8083539 0.83 GRM8 (0.63) TSHRGRM8GRM6GRM4KMO
SCHEMBL2828262 0.83 CYP2D6 (0.54) TSHRGRM8GRM6GRM4ALDH1A1
SCHEMBL10341513 0.83 CYP2D6 (0.54) TSHRGRM8GRM6GRM4ALDH1A1
SCHEMBL1204525 0.83 CYP2D6 (0.54) TSHRGRM8GRM6GRM4ALDH1A1
SCHEMBL30232038 0.83 GRM8 (0.63) TSHRGRM8GRM6GRM4KMO
SCHEMBL3891779 0.83 TSHR (0.57) TSHRGRM8GRM6GRM4ALDH1A1
SCHEMBL1204526 0.83 CYP2D6 (0.54) TSHRGRM8GRM6GRM4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10016381-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field NOGRA PHARMA LIMITED (IE) 2018-07-10 US disclosed
US-10016381-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field NOGRA PHARMA LIMITED (IE) 2018-07-10 US disclosed
US-20170312239-A1 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD GIULIANI INTERNATIONAL LIMITED (IE) 2017-11-02 US disclosed
US-20170312239-A1 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD GIULIANI INTERNATIONAL LIMITED (IE) 2017-11-02 US disclosed
US-20170312239-A1 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD GIULIANI INTERNATIONAL LIMITED (IE) 2017-11-02 US disclosed
US-9561202-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field NOGRA PHARMA LIMITED (IE) 2017-02-07 US disclosed
US-9561202-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field NOGRA PHARMA LIMITED (IE) 2017-02-07 US disclosed
US-9561202-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field NOGRA PHARMA LIMITED (IE) 2017-02-07 US disclosed
US-9345680-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field NOGRA PHARMA LIMITED (IE) 2016-05-24 US disclosed
US-9345680-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field NOGRA PHARMA LIMITED (IE) 2016-05-24 US disclosed
CN-102020577-A Compounds and their salts specific to the ppar receptors and the egf receptors and their use in the medical field GIULIANI INT LTD 2011-04-20 CN disclosed
US-20090048343-A1 Compounds and Their Salts Specific to the PPAR Receptors and the EGF Receptors and Their Use in the Medical Field NOGRA PHARMA LIMITED (IE) 2009-02-19 US disclosed
US-20090048343-A1 Compounds and Their Salts Specific to the PPAR Receptors and the EGF Receptors and Their Use in the Medical Field NOGRA PHARMA LIMITED (IE) 2009-02-19 US disclosed
US-20090048343-A1 Compounds and Their Salts Specific to the PPAR Receptors and the EGF Receptors and Their Use in the Medical Field NOGRA PHARMA LIMITED (IE) 2009-02-19 US disclosed
CN-101243039-A PPAR receptor and EGF receptor specific compounds and salts thereof and their use in the medical field GIULIANI INT LTD (IE) 2008-08-13 CN disclosed
EP-1910270-A2 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD Giuliani International Limited (IE) 2008-04-16 EP disclosed
CN-1332964-C Plasma carboxypeptidase B inhibitors SCHERING AG (DE) 2007-08-22 CN disclosed
WO-2007010516-A2 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD GIULIANI INTERNATIONAL LIMITED (IE) 2007-01-25 WO disclosed
WO-2007010516-A2 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD GIULIANI INTERNATIONAL LIMITED (IE) 2007-01-25 WO disclosed
CN-1656107-A Plasma carboxypeptidase B inhibitors SCHERING AG (DE) 2005-08-17 CN 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-20170312239-A1 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD EGFR, ERBB3, FGFR3 TSHR 86/4885GRM8 865/4885GRM6 593/4885
US-10016381-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field EGFR, ERBB3, FGFR3 TSHR 86/4885GRM8 865/4885GRM6 593/4885
US-20090048343-A1 Compounds and Their Salts Specific to the PPAR Receptors and the EGF Receptors and Their Use in the Medical Field EGFR, ERBB3, FGFR3 TSHR 86/4885GRM8 865/4885GRM6 593/4885

“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.