SCHEMBL3349539

SCHEMBL3349539

CCOC(=O)c1coc(NS(C)(=O)=O)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.52
HPGD P15428 3/20 0.48
RECQL P46063 1/20 0.48
CYP1A2 P05177 2/20 0.44
TTK P33981 1/20 0.41
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 2/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL15064334 0.79 NLRP3 (0.54) NLRP3HPGDCYP1A2TTKMMP13
SCHEMBL3347980 0.79 MMP2 (0.43) NLRP3MMP2
SCHEMBL3369232 0.78 NLRP3 (0.56) NLRP3CYP1A2TTKNPC1MEN1
SCHEMBL28374254 0.78 CYP1A2 (0.47) NLRP3HPGDRECQLCYP1A2HSD17B10
SCHEMBL6630016 0.77 ALDH1A1 (0.41) NLRP3MMP2ALDH1A1
SCHEMBL160214 0.77 CYP1A2 (0.53) NLRP3HPGDRECQLCYP1A2KDM4E
SCHEMBL12999920 0.75 NLRP3 (0.50) NLRP3HPGDCYP1A2TTKKDM4E
SCHEMBL553902 0.75 NLRP3 (0.56) NLRP3HPGDCYP1A2TTKHSD17B10
SCHEMBL2070169 0.75 CYP1A2 (0.55) NLRP3HPGDRECQLCYP1A2KDM4E
SCHEMBL8367146 0.74 CYP1A2 (0.44) NLRP3HPGDRECQLCYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118684633-A Androgen receptor modulators and methods of use thereof 埃萨制药股份有限公司 2024-09-24 CN disclosed
CN-113195441-B Androgen receptor modulators and methods of use thereof 埃萨制药股份有限公司 2024-07-12 CN disclosed
US-20220380325-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-12-01 US disclosed
CN-113195441-A Androgen receptor modulators and methods of use thereof 埃萨制药股份有限公司 2021-07-30 CN disclosed
US-11059795-B2 Androgen receptor modulators and methods for their use ESSA PHARMA, INC. (CA) 2021-07-13 US disclosed
WO-2021032323-A1 FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES GALAPAGOS NV (BE) 2021-02-25 WO disclosed
WO-2021032323-A1 FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES GALAPAGOS NV (BE) 2021-02-25 WO disclosed
EP-3782997-A1 FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES Galapagos N.V. (BE) 2021-02-24 EP disclosed
EP-3782997-A1 FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES Galapagos N.V. (BE) 2021-02-24 EP disclosed
US-20200247763-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2020-08-06 US disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP disclosed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO 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 (5 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-20200247763-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, NR5A1, CYP17A1 NLRP3 4870/4885HPGD 281/4885RECQL 3131/4885
US-11059795-B2 Androgen receptor modulators and methods for their use AR, NR5A1, CYP17A1 NLRP3 4870/4885HPGD 281/4885RECQL 3131/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 NLRP3 4202/4885HPGD 155/4885RECQL 309/4885
US-20220380325-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, NR5A1, CYP17A1 NLRP3 4870/4885HPGD 281/4885RECQL 3131/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP NLRP3 3876/4885HPGD 1390/4885RECQL 293/4885

“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.