Sugi Predict

Sugi Predict / Compounds / SCHEMBL2080446

SCHEMBL2080446

SCHEMBL2080446

CCOC(=O)CC(=O)c1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.49
▸ CES1 P23141 1/20 0.49
▸ MAPT P10636 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ ACKR3 P25106 2/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ MIF P14174 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TSHR P16473 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
SCHEMBL12692656 0.88 NLRP3 (0.44) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL2461202 0.88 MEN1 (0.49) CES2CES1MAPTRAB9APOLB
SCHEMBL28667424 0.86 MAPT (0.50) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL26673212 0.86 ACKR3 (0.51) CES2CES1MAPTRAB9APOLB
SCHEMBL25208513 0.85 CES2 (0.53) CES2CES1MAPTRAB9APOLB
SCHEMBL3412192 0.85 TDP1 (0.47) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL21857955 0.85 F2R (0.44) MAPTRAB9APOLBMEN1KMT2A
SCHEMBL30228141 0.85 TDP1 (0.47) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL1568667 0.85 DGAT1 (0.49) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL25415875 0.85 MAPT (0.47) CES2CES1MAPTRAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108658991-B Preparation method and application of 3, 5-disubstituted methylpyrazolo [1,5-a ] pyrimidine-7-phenolate analogue and derivative 辽宁利锋科技开发有限公司 2023-12-15 — — CN disclosed
US-20210094954-A1 PREPARATION METHODS AND APPLICATIONS OF 3,5-DISUBSTITUTED METHYLPYRAZOLO[1,5-A]PYRIMIDINE-7-HYDROXYLIC SALTS XU LIFENG (US) 2021-04-01 — — US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 — — US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 — — US disclosed
US-8372851-B2 Pyrazolo pyrimidines as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2013-02-12 — — US disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — WO disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — WO disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — US disclosed
US-20100130488-A1 Pyrazolo-Pyrimidines as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2010-05-27 — — US disclosed
EP-1948663-A2 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2008-07-30 — — EP disclosed
EP-1336611-B1 DEHALOGENO COMPOUNDS DAIICHI SEIYAKU CO (JP) 2007-09-05 — — EP disclosed
US-20070123560-A1 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. 2007-05-31 — — US disclosed
WO-2007048066-A2 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 — — WO disclosed
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 — — US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 — — US disclosed
US-20040063754-A1 Dehalogeno compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 — — US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 — — EP disclosed
EP-1336611-A1 DEHALOGENO COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-08-20 — — 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP CES2 314/4885CES1 31/4885MAPT 2688/4885
US-20040063754-A1 Dehalogeno compounds DEK, PGLS, RPS27L CES2 762/4885CES1 956/4885MAPT 3483/4885
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 CES2 1595/4885CES1 637/4885MAPT 3629/4885
US-20210094954-A1 PREPARATION METHODS AND APPLICATIONS OF 3,5-DISUBSTITUTED METHYLPYRAZOLO[1,5-A]PYRIMIDINE-7-HYDROXYLIC SALTS DHPS, NUDT1, DPYD CES2 4535/4885CES1 2791/4885MAPT 3914/4885
US-20100130488-A1 Pyrazolo-Pyrimidines as Casein Kinase II (CK2) Modulators CSNK1A1, CSNK2A1, CSNK2A2 CES2 3687/4885CES1 2269/4885MAPT 1735/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 CES2 1595/4885CES1 637/4885MAPT 3629/4885
US-20070123560-A1 Dehalogeno-compounds DEK, RPS27L, POLL CES2 1028/4885CES1 1176/4885MAPT 4084/4885

“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.