SCHEMBL2563447

SCHEMBL2563447

CCOC(=O)COc1cnccc1C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.47
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
TSHR P16473 2/20 0.44
ABCB1 P08183 1/20 0.43
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 2/20 0.43
TBXAS1 P24557 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL4724952 0.89 CASP3 (0.52) KDM4EALDH1A1SMN1; SMN2TSHRABCB1
SCHEMBL17150217 0.88 NUDT1 (0.51) NUDT1ALDH1A1SMN1; SMN2CDC7DBF4
SCHEMBL28734813 0.82 NUDT1 (0.49) NUDT1KDM4EALDH1A1SMN1; SMN2CDC7
SCHEMBL28734595 0.82 NUDT1 (0.49) NUDT1ALDH1A1SMN1; SMN2CDC7DBF4
SCHEMBL3605826 0.81 TP53 (0.45) NUDT1KDM4EALDH1A1SMN1; SMN2CDC7
SCHEMBL8008468 0.79 ABCB1 (0.64) ALDH1A1SMN1; SMN2TSHRABCB1CASP3
SCHEMBL19240247 0.78 ALDH1A1 (0.45) KDM4EALDH1A1SMN1; SMN2TSHRABCB1
SCHEMBL29837473 0.78 TSHR (0.60) NUDT1KDM4EALDH1A1CDC7DBF4
SCHEMBL3515887 0.78 TSHR (0.60) NUDT1KDM4EALDH1A1CDC7DBF4
SCHEMBL5422256 0.78 ALDH1A1 (0.43) NUDT1ALDH1A1SMN1; SMN2CDC7DBF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348441-A1 BICYCLIC COMPOUND THAT ACTS AS CRBN PROTEIN REGULATOR MEDSHINE DISCOVERY INC. (CN) 2023-11-02 US disclosed
US-11485745-B2 Amido spirocyclic amide and sulfonamide derivatives VALO HEALTH, INC. (US) 2022-11-01 US disclosed
US-20210171545-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES VALO HEALTH, INC. 2021-06-10 US disclosed
WO-2021047674-A1 BICYCLIC COMPOUND THAT ACTS AS CRBN PROTEIN REGULATOR 南京明德新药研发有限公司 2021-03-18 WO disclosed
CN-104520290-B Amido spirocyclic amide and sulfonamide derivatives 基因科技股份有限公司 2020-10-09 CN disclosed
US-10730889-B2 Amido spirocyclic amide and sulfonamide derivatives FORMA TM, LLC (US) 2020-08-04 US disclosed
US-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates Valo Health, LLC 2020-06-30 US disclosed
US-20180339998-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES Valo Health, LLC 2018-11-29 US disclosed
US-9822129-B2 Amido spirocyclic amide and sulfonamide derivatives GENENTECH, INC. (US) 2017-11-21 US disclosed
US-20170216262-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES VALO EARLY DISCOVERY, INC. 2017-08-03 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 WO disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 WO disclosed
WO-2008024725-A1 AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-02-28 WO disclosed
WO-2008024725-A1 AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-02-28 WO disclosed
WO-2007027855-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-03-08 WO disclosed
WO-2007027855-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-03-08 WO disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 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-20230348441-A1 BICYCLIC COMPOUND THAT ACTS AS CRBN PROTEIN REGULATOR CRBN, CRKL, NCOR1 NUDT1 4803/4885KDM4E 2887/4885ALDH1A1 4261/4885
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF NUDT1 2274/4885KDM4E 3956/4885ALDH1A1 1842/4885
US-20170216262-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES STS, AADAC, SULT2A1 NUDT1 1311/4885KDM4E 3809/4885ALDH1A1 2181/4885
US-20210171545-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES STS, AADAC, SULT2A1 NUDT1 1311/4885KDM4E 3809/4885ALDH1A1 2181/4885
US-11485745-B2 Amido spirocyclic amide and sulfonamide derivatives STS, AADAC, SULT2A1 NUDT1 1311/4885KDM4E 3809/4885ALDH1A1 2181/4885
US-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates STS, SQOR, SULT1E1 NUDT1 849/4885KDM4E 594/4885ALDH1A1 2853/4885
US-20180339998-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES STS, AADAC, SULT2A1 NUDT1 1311/4885KDM4E 3809/4885ALDH1A1 2181/4885
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide MAP3K2, MAP3K1, MAP2K2 NUDT1 1990/4885KDM4E 1257/4885ALDH1A1 1140/4885
US-10730889-B2 Amido spirocyclic amide and sulfonamide derivatives STS, AADAC, SULT2A1 NUDT1 1311/4885KDM4E 3809/4885ALDH1A1 2181/4885

“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.