SCHEMBL693471

SCHEMBL693471

O=CNc1ccc(CC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
CAMK2A Q9UQM7 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 3/20 0.50
AKR1B1 P15121 1/20 0.50
FFAR1 O14842 3/20 0.49
GAA P10253 2/20 0.48
ABCC4 O15439 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
NR1H4 Q96RI1 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL11041084 0.82 POLB (0.44) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL9489348 0.81 FFAR1 (0.56) CA2ALDH1A1FFAR1NR1H4
SCHEMBL11376149 0.81 MEN1 (0.49) CA2CAMK2AMEN1KMT2AALDH1A1
SCHEMBL9825759 0.79 ALDH1A1 (0.41) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL2289168 0.79 CYP4F2 (0.56) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL30489981 0.78 SELP (0.52) ALDH1A1AKR1B1GAALMNATSHR
SCHEMBL13222535 0.78 SMN1; SMN2 (0.56) ALDH1A1FFAR1LMNATSHRNR1H4
SCHEMBL13972907 0.78 SELP (0.52) ALDH1A1AKR1B1GAALMNATSHR
SCHEMBL69614 0.78 CA2 (0.79) CA2CAMK2AMEN1KMT2AALDH1A1
SCHEMBL14852040 0.77 CA2 (0.58) CA2CAMK2AMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2021-01-28 US disclosed
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2020-11-17 US disclosed
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2020-05-28 US disclosed
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2020-03-17 US disclosed
US-20190300504-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2019-10-03 US disclosed
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2019-07-23 US disclosed
US-20190047984-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2019-02-14 US disclosed
EP-3210981-B1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA 2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE RESPIRATORY CO LLC (US) 2019-01-02 EP disclosed
US-10138220-B1 Diamide compounds having muscarinic receptor antagonis and beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2018-11-27 US disclosed
US-9975875-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2018-05-22 US disclosed
WO-2010123766-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND β2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE, INC. (US) 2010-10-28 WO disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-6835724-B2 Topical antiinflammatory agents for treating inflammatory dermatoses AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-28 US disclosed
US-20020103392-A1 CORTICOID-17,21-DICARBOXYLIC ESTERS AND CORTICOSTEROID 17-CARBOXYLIC ESTER 21-CARBONIC ESTERS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-01 US disclosed
US-5824670-A ANTIINFLAMMATORY AGENTS; TREATING DERMATOSES HOECHST AKTIENGESELLSCHAFT (DE) 1998-10-20 US disclosed
US-5608093-A ANTIINFLAMMATORY AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
EP-0708111-A1 17-Desoxy corticosteroid-21-esters, a process for their preparation and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-24 EP disclosed
EP-0646593-A1 Corticoid-17,21-dicarboxylic acid ester and corticosteroid-17-carboxylic acid ester-21-carbonic, process for their production and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-05 EP disclosed
EP-0640616-A2 17-Alkylcarbonate, 21-0-carbonic/carboxylic acid esters of corticosteroids, a method for their production and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-01 EP 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 (10 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-20190300504-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B CA2 349/4885CAMK2A 1863/4885MEN1 1362/4885
US-10138220-B1 Diamide compounds having muscarinic receptor antagonis and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A CA2 234/4885CAMK2A 1472/4885MEN1 1184/4885
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A CA2 345/4885CAMK2A 1800/4885MEN1 1447/4885
US-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 CA2 4738/4885CAMK2A 364/4885MEN1 3865/4885
US-20020103392-A1 CORTICOID-17,21-DICARBOXYLIC ESTERS AND CORTICOSTEROID 17-CARBOXYLIC ESTER 21-CARBONIC ESTERS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS NR3C1, HSD3B1, HSD17B7 CA2 969/4885CAMK2A 3040/4885MEN1 2777/4885
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B CA2 392/4885CAMK2A 1744/4885MEN1 2417/4885
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B CA2 349/4885CAMK2A 1863/4885MEN1 1362/4885
US-20190047984-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B CA2 278/4885CAMK2A 1675/4885MEN1 1266/4885
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B CA2 349/4885CAMK2A 1863/4885MEN1 1362/4885
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A CA2 324/4885CAMK2A 1700/4885MEN1 1376/4885

“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.