SCHEMBL729924

SCHEMBL729924

CC(=O)Cc1cccc(CC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.58
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
GAA P10253 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 3/20 0.48
TSHR P16473 3/20 0.48
LMNA P02545 2/20 0.48
NFKB1 P19838 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
RGS12 O14924 1/20 0.48
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
THPO P40225 1/20 0.48
BLM P54132 1/20 0.48
GNAI1 P63096 1/20 0.48
PMP22 Q01453 1/20 0.48
HIF1A Q16665 1/20 0.48

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
SCHEMBL6509671 0.91 ALDH1A1 (0.46) AKR1B1CYP1A2CYP2C19POLBALDH1A1
SCHEMBL70565 0.89 AKR1B1 (0.71) AKR1B1CYP1A2CYP2C19GAAKDM4E
Hydrochloric Acid SCHEMBL8922940 0.87 AKR1B1 (0.68) AKR1B1CYP1A2CYP2C19GAAKDM4E
SCHEMBL13438518 0.87 AKR1B1 (0.48) AKR1B1GAAKDM4EMAPTHPGD
SCHEMBL13554933 0.83 ENPP2 (0.44) TSHRPOLBALDH1A1SLC7A5
SCHEMBL13905068 0.83 BCL2 (0.47) CYP1A2CYP2C19GAAMAPTHPGD
SCHEMBL1515871 0.83 AKR1B1 (0.58) AKR1B1CYP1A2CYP2C19GAAKDM4E
SCHEMBL4402323 0.83 AKR1B1 (0.62) AKR1B1CYP1A2CYP2C19GAAKDM4E
Acetic Acid SCHEMBL9783357 0.82 AKR1B1 (0.57) AKR1B1CYP1A2CYP2C19GAAKDM4E
SCHEMBL8277240 0.82 CA2 (0.62) AKR1B1GAAKDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230398226-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS CIDARA THERAPEUTICS, INC. 2023-12-14 US disclosed
US-11833213-B2 Compositions and methods for the treatment of viral infections CIDARA THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
US-20230287365-A1 COMPOSITIONS AND METHODS FOR DECREASING INFLAMMATION BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2023-09-14 US disclosed
US-20230190950-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. 2023-06-22 US disclosed
US-20230165970-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. 2023-06-01 US disclosed
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-20050222128-A1 Compounds for the treatment of diseases PFIZER INC 2005-10-06 US disclosed
WO-2005092840-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LIMITED (GB) 2005-10-06 WO disclosed
WO-2005092887-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-10-06 WO disclosed
US-20050215590-A1 Formamide derivatives for the treatment of diseases PFIZER LIMITED (GB) 2005-09-29 US disclosed
WO-2005090287-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2005-09-29 WO disclosed
EP-1577291-A1 Phenylethanolamine derivatives as beta-2 agonists Pfizer Limited (GB) 2005-09-21 EP disclosed
WO-2005080324-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-09-01 WO disclosed
US-20050014763-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-20 US disclosed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 WO disclosed
EP-1477167-A1 [(2-hydroxy-2-(4-hydroxy-3-hydroxymethylphenyl)-ethylamino)-propyl] phenyl derivatives as beta2 agonists Pfizer Limited (GB) 2004-11-17 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 (13 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 AKR1B1 334/4885CYP1A2 686/4885CYP2C19 1597/4885
US-20230398226-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS FCGR3B, ALB, FCGR1A AKR1B1 3894/4885CYP1A2 2291/4885CYP2C19 852/4885
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A AKR1B1 413/4885CYP1A2 718/4885CYP2C19 1537/4885
US-20050014763-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PAH, AADAT, IL4I1 AKR1B1 256/4885CYP1A2 26/4885CYP2C19 130/4885
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B AKR1B1 364/4885CYP1A2 475/4885CYP2C19 1234/4885
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B AKR1B1 334/4885CYP1A2 686/4885CYP2C19 1597/4885
US-20230190950-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS FCGR3B, FCGR1A, FCGR2A AKR1B1 4500/4885CYP1A2 4779/4885CYP2C19 3097/4885
US-11833213-B2 Compositions and methods for the treatment of viral infections FCGR3B, ALB, FCGR1A AKR1B1 3894/4885CYP1A2 2291/4885CYP2C19 852/4885
US-20230165970-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS FCGR3B, FCGR1A, FCGR2A AKR1B1 4500/4885CYP1A2 4779/4885CYP2C19 3097/4885
US-20230287365-A1 COMPOSITIONS AND METHODS FOR DECREASING INFLAMMATION ENTPD1, ENTPD2, ENTPD5 AKR1B1 1773/4885CYP1A2 3232/4885CYP2C19 3696/4885
US-20050222128-A1 Compounds for the treatment of diseases LTC4S, LTB4R2, CYP11B2 AKR1B1 68/4885CYP1A2 71/4885CYP2C19 216/4885
US-20050215590-A1 Formamide derivatives for the treatment of diseases FH, FAH, HRH4 AKR1B1 90/4885CYP1A2 25/4885CYP2C19 163/4885
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B AKR1B1 334/4885CYP1A2 686/4885CYP2C19 1597/4885

“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.