SCHEMBL229569

SCHEMBL229569

CCN(CC)C(=O)COC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1NCc1ccco1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.66
CA1 P00915 4/20 0.66
CA2 P00918 4/20 0.66
CA6 P23280 4/20 0.66
CA5A P35218 4/20 0.66
CA7 P43166 4/20 0.66
CA9 Q16790 4/20 0.66
CA14 Q9ULX7 4/20 0.66
CA5B Q9Y2D0 4/20 0.66
CISD1 Q9NZ45 4/20 0.66
ALDH1A1 P00352 1/20 0.66
HTR1A P08908 1/20 0.66
CA4 P22748 1/20 0.66
HSD11B1 P28845 1/20 0.66
SLC10A1 Q14973 1/20 0.66
GPR35 Q9HC97 1/20 0.66
ABCG2 Q9UNQ0 1/20 0.66
APP P05067 9/20 0.59
AQP1 P29972 1/20 0.55
TEX264 Q9Y6I9 1/20 0.51

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
SCHEMBL230612 0.91 CISD1 (0.68) CA12CA1CA2CA6CA5A
SCHEMBL229243 0.90 CA1 (0.74) CA12CA1CA2CA6CA5A
SCHEMBL4422550 0.89 CA12 (0.68) CA12CA1CA2CA6CA5A
SCHEMBL4413075 0.89 CA12 (0.55) CA12CA1CA2CA6CA5A
SCHEMBL22971174 0.89 CA12 (0.67) CA12CA1CA2CA6CA5A
SCHEMBL4017488 0.87 CISD1 (0.73) CA12CA1CA2CA6CA5A
SCHEMBL4412903 0.87 CISD1 (0.76) CA12CA1CA2CA6CA5A
SCHEMBL10540427 0.87 CISD1 (0.67) CA12CA1CA2CA6CA5A
SCHEMBL12418669 0.86 CISD1 (0.69) CA12CA1CA2CA6CA5A
SCHEMBL16581183 0.86 CISD1 (0.74) CA12CA1CA2CA6CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108640-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-05-03 US claimed
EP-1874286-A4 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ANXIETY DISORDERS NEUROTHERAPEUTICS PHARMA INC (US) 2009-07-01 EP claimed
EP-1874286-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ANXIETY DISORDERS Neurotherapeutics Pharma LLC (US) 2008-01-09 EP claimed
WO-2006110187-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ANXIETY DISORDERS NEUROTHERAPEUTICS PHARMA LLC (US) 2006-10-19 WO claimed
US-20060089350-A1 Methods and compositions for the treatment of neuropsychiatric disorders NEUROTHERAPEUTICS PHARMA LLC (US) 2006-04-27 US claimed
US-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS, INC. 2024-01-11 US disclosed
US-20220071935-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS, INC. 2022-03-10 US disclosed
US-10709682-B2 Treatment of tinnitus through modulation of chloride co-transporter NKCC1 in the auditory system OTOLANUM AG (CH) 2020-07-14 US disclosed
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2019-05-23 US disclosed
US-10201507-B2 Modulators of intracellular chloride concentration for treating fragile X syndrome NEUROCHLORE (FR) 2019-02-12 US disclosed
EP-3083959-B1 INHIBITORS OF INTRACELLULAR CHLORIDE CONCENTRATION FOR TREATING DOWN SYNDROME FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2019-02-06 EP disclosed
US-20180360797-A1 TREATMENT OF TINNITUS THROUGH MODULATION OF CHLORIDE CO-TRANSPORTER NKCC1 IN THE AUDITORY SYSTEM EBERHARD-KARLS-UNIVERSITAT TUBINGEN UNIVERSITATSKLINIKUM (DE) 2018-12-20 US disclosed
EP-1951702-A2 DIURETIC-LIKE COMPOUND ANALOGS USEFUL FOR REGULATION OF CENTRAL NERVOUS SYSTEM DISORDERS NeuroTherapeutics Pharma, Inc. (US) 2008-08-06 EP disclosed
EP-1937242-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS NeuroTherapeutics Pharma, Inc. (US) 2008-07-02 EP disclosed
EP-1874286-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ANXIETY DISORDERS Neurotherapeutics Pharma LLC (US) 2008-01-09 EP disclosed
US-20070149526-A1 Diuretic and diuretic-like compound analogs NEUROTHERAPEUTICS PHARMA, L.L.C. 2007-06-28 US disclosed
WO-2007047447-A2 DIURETIC-LIKE COMPOUND ANALOGS USEFUL FOR REGULATION OF CENTRAL NERVOUS SYSTEM DISORDERS NEUROTHERAPEUTICS PHARMA, INC. (US) 2007-04-26 WO disclosed
WO-2007047698-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS NEUROTHERAPEUTICS PHARMA, INC. (US) 2007-04-26 WO disclosed
WO-2006110187-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ANXIETY DISORDERS NEUROTHERAPEUTICS PHARMA LLC (US) 2006-10-19 WO disclosed
US-20060089350-A1 Methods and compositions for the treatment of neuropsychiatric disorders NEUROTHERAPEUTICS PHARMA LLC (US) 2006-04-27 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 (9 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-20180360797-A1 TREATMENT OF TINNITUS THROUGH MODULATION OF CHLORIDE CO-TRANSPORTER NKCC1 IN THE AUDITORY SYSTEM SLC6A1, SLC6A11, SLC6A13 CA12 1273/4885CA1 1240/4885CA2 209/4885
US-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA12 1338/4885CA1 988/4885CA2 489/4885
US-20060089350-A1 Methods and compositions for the treatment of neuropsychiatric disorders SLC1A2, SLC18A2, GRIN2C CA12 1092/4885CA1 490/4885CA2 308/4885
US-10201507-B2 Modulators of intracellular chloride concentration for treating fragile X syndrome SLC8B1, SLC6A1, SLC8A1 CA12 4639/4885CA1 3796/4885CA2 924/4885
US-20220071935-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA12 1338/4885CA1 988/4885CA2 489/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 CA12 1049/4885CA1 701/4885CA2 388/4885
US-20070149526-A1 Diuretic and diuretic-like compound analogs AQP4, AVPR2, AQP1 CA12 1656/4885CA1 559/4885CA2 708/4885
US-20120108640-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS SLC1A2, SLC18A2, GRIN2C CA12 1092/4885CA1 490/4885CA2 308/4885
US-10709682-B2 Treatment of tinnitus through modulation of chloride co-transporter NKCC1 in the auditory system SLC6A1, SLC6A11, SLC6A13 CA12 1270/4885CA1 1239/4885CA2 208/4885

“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.