SCHEMBL2200555

SCHEMBL2200555

COC(=O)C(=O)CC(=O)c1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48
PARP1 P09874 1/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
ERCC5 P28715 4/20 0.46
FEN1 P39748 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GLA P06280 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 2/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 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
SCHEMBL4689570 0.88 ALDH1A1 (0.56) L3MBTL1KDM4EMAPK1PARP1LMNA
SCHEMBL29444425 0.88 ALDH1A1 (0.56) L3MBTL1KDM4EMAPK1PARP1LMNA
SCHEMBL13918097 0.83 L3MBTL1 (0.53) L3MBTL1KDM4EMAPK1PARP1LMNA
SCHEMBL30758864 0.82 PARP1 (0.61) L3MBTL1KDM4EMAPK1PARP1LMNA
SCHEMBL11269818 0.82 KDM4E (0.50) KDM4EPARP1ERCC5FEN1NPC1
SCHEMBL2263377 0.82 CTNNB1 (0.54) KDM4EPARP1LMNAHPGDERCC5
SCHEMBL25516644 0.82 RXFP1 (0.45) L3MBTL1KDM4EMAPK1PARP1LMNA
SCHEMBL20487359 0.81 KDM4E (0.54) L3MBTL1KDM4EPARP1LMNAHPGD
SCHEMBL20239513 0.81 KMT2A (0.61) KDM4EPARP1ERCC5FEN1NPC1
SCHEMBL8231217 0.81 ERCC5 (0.69) L3MBTL1KDM4EPARP1LMNAHPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667629-B2 Isoxazole derivative, preparation method therefor, and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-06-06 US disclosed
US-20220081433-A1 CYCLIC SULFAMIDE COMPOUNDS FOR TREATMENT OF HBV ASSEMBLY BIOSCIENCES INC (US) 2022-03-17 US disclosed
EP-3730491-A1 ISOXAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-10-28 EP disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO disclosed
US-7169797-B2 Protein-tyrosine phosphatase inhibitors and uses thereof ABBOTT LABORATORIES (US) 2007-01-30 US disclosed
US-20040214870-A1 Controlling gene expression; antidiabetic agents; insulin resistance; autoimmune disease; 5-(3-((1E)-3-(3-hydroxy-2-(methoxycarbonyl)phenoxy)prop-1-enyl)phenyl)isoxazole-3-carboxylic acid ABBVIE INC. 2004-10-28 US disclosed
US-20040167188-A1 Controlling gene expression; antidiabetic agents; insulin resistance; autoimmune disease; ABBOTT LABORATORIES 2004-08-26 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 (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-11667629-B2 Isoxazole derivative, preparation method therefor, and use thereof CYP4A11, CYP4F11, SLC10A1 L3MBTL1 4810/4885KDM4E 4612/4885MAPK1 1620/4885
US-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 L3MBTL1 4149/4885KDM4E 3694/4885MAPK1 868/4885
US-20040167188-A1 Controlling gene expression; antidiabetic agents; insulin resistance; autoimmune disease; G6PC1, PPP1R1B, PPP1R7 L3MBTL1 2516/4885KDM4E 1855/4885MAPK1 339/4885
US-20220081433-A1 CYCLIC SULFAMIDE COMPOUNDS FOR TREATMENT OF HBV HCCS, HAVCR2, SMC1A L3MBTL1 4368/4885KDM4E 3213/4885MAPK1 4034/4885
US-20040214870-A1 Controlling gene expression; antidiabetic agents; insulin resistance; autoimmune disease; 5-(3-((1E)-3-(3-hydroxy-2-(methoxycarbonyl)phenoxy)prop-1-enyl)phenyl)isoxazole-3-carboxylic acid G6PC1, PPP1R7, PPP1R1B L3MBTL1 2715/4885KDM4E 768/4885MAPK1 821/4885

“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.