SCHEMBL4753529

SCHEMBL4753529

CCOC(=O)c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 1.00
RECQL P46063 1/20 1.00
CA1 P00915 2/20 0.74
CA2 P00918 2/20 0.74
ALDH1A1 P00352 3/20 0.64
MAPK1 P28482 1/20 0.64
NHERF1 O14745 1/20 0.63
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
LMNA P02545 2/20 0.60
TSHR P16473 2/20 0.60
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
KDM4E B2RXH2 1/20 0.56
CA12 O43570 1/20 0.56
ESR1 P03372 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
ESR2 Q92731 1/20 0.56

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
SCHEMBL27183141 0.84 HPGD (0.72) HPGDRECQLCA1CA2ALDH1A1
SCHEMBL24667482 0.84 HPGD (0.72) HPGDRECQLCA1CA2ALDH1A1
SCHEMBL21596182 0.84 HPGD (0.72) HPGDRECQLCA1CA2ALDH1A1
Hydrazine SCHEMBL28785858 0.84 CA1 (0.75) HPGDRECQLCA1CA2ALDH1A1
SCHEMBL8599690 0.83 HPGD (0.70) HPGDRECQLCA1CA2ALDH1A1
SCHEMBL13064478 0.83 HPGD (0.80) HPGDRECQLCA1CA2ALDH1A1
SCHEMBL27929690 0.83 CA1 (0.73) HPGDRECQLCA1CA2ALDH1A1
SCHEMBL5779034 0.83 HPGD (0.72) HPGDRECQLCA1CA2ALDH1A1
SCHEMBL63833 0.82 HPGD (0.70) HPGDRECQLCA1CA2ALDH1A1
SCHEMBL22225675 0.82 HPGD (0.68) HPGDRECQLCA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US disclosed
US-11578087-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-02-14 US disclosed
CN-109071446-B Organic reaction in aqueous solution in the presence of hydroxyalkyl (alkyl) cellulose or alkylcellulose 艾伯维德国有限责任两合公司 2022-06-21 CN disclosed
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2022-04-26 US disclosed
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2022-04-26 US disclosed
WO-2022035763-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-17 WO disclosed
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. 2021-04-08 US disclosed
US-20210017100-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE AbbVie Deutschland GmbH & Co. KG (DE) 2021-01-21 US disclosed
US-20210017100-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE AbbVie Deutschland GmbH & Co. KG (DE) 2021-01-21 US disclosed
US-10882872-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
US-20060063760-A1 Hydroxamic acids useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-23 US disclosed
EP-1620397-A1 HYDROXAMIC ACIDS USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-02-01 EP disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP disclosed
WO-2004094376-A1 HYDROXAMIC ACIDS USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-04 WO disclosed
US-5624922-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1997-04-29 US disclosed
US-5602277-A Substituted benzene derivatives useful as neuraminidase inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 1997-02-11 US disclosed
WO-1996030329-A1 SUBSTITUTED BENZENE DERIVATIVES USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INCORPORATED (US) 1996-10-03 WO disclosed
EP-0597540-B1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC (US) 1996-06-05 EP disclosed
US-5380721-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0597540-A1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1994-05-18 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 (7 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-20210017100-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE LIPA, ALG1, CEL HPGD 1300/4885RECQL 915/4885CA1 3472/4885
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 HPGD 2258/4885RECQL 2967/4885CA1 3605/4885
US-10882872-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 HPGD 2258/4885RECQL 2967/4885CA1 3605/4885
US-20060063760-A1 Hydroxamic acids useful in the treatment of hyper-proliferative disorders MKI67, PCNA, CCNA1 HPGD 113/4885RECQL 837/4885CA1 3048/4885
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 HPGD 2258/4885RECQL 2967/4885CA1 3605/4885
US-11578087-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 HPGD 2258/4885RECQL 2967/4885CA1 3605/4885
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose LIPA, ALG1, CEL HPGD 1300/4885RECQL 915/4885CA1 3472/4885

“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.