SCHEMBL819451

SCHEMBL819451

CC(C)S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA9 Q16790 1/20 0.62
MAPT P10636 5/20 0.61
KDM4E B2RXH2 4/20 0.61
GAA P10253 3/20 0.61
APOBEC3G Q9HC16 2/20 0.61
NPSR1 Q6W5P4 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 3/20 0.56
ALOX12 P18054 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 3/20 0.50
HTT P42858 2/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL2623665 0.84 MAPT (0.60) MAPK1CA1CA2CA9MAPT
SCHEMBL863061 0.80 MAPK1 (0.68) MAPK1CA1CA2CA9MAPT
SCHEMBL12132459 0.79 ALDH1A1 (0.58) MAPK1CA1CA2CA9MAPT
SCHEMBL31252486 0.79 MAPK1 (0.56) MAPK1CA1CA2CA9MAPT
SCHEMBL20364515 0.78 KDM4E (0.39) MAPK1CA1CA2CA9MAPT
SCHEMBL7180056 0.78 MAPK1 (0.70) MAPK1CA1CA2CA9MAPT
SCHEMBL27592567 0.78 MAPK1 (0.70) MAPK1CA1CA2CA9MAPT
SCHEMBL22134814 0.77 MAPK1 (0.64) MAPK1CA1CA2CA9MAPT
SCHEMBL8272372 0.77 MAPK1 (0.64) MAPK1CA1CA2CA9MAPT
SCHEMBL12549070 0.77 MAPK1 (0.64) MAPK1CA1CA2CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411426-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-29 US disclosed
US-10682419-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2020-06-16 US disclosed
US-20180194768-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-07-12 US disclosed
US-20180147291-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2018-05-31 US disclosed
US-20180147291-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2018-05-31 US disclosed
US-9878047-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2018-01-30 US disclosed
US-20160263234-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-09-15 US disclosed
US-9315542-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-9309283-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-04-12 US disclosed
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-03-12 US disclosed
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-10-01 US disclosed
US-7550458-B2 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7550458-B2 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7531526-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-05-12 US disclosed
US-20080132678-A1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-06-05 US disclosed
US-20070282100-A1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-06 US disclosed
US-20070282100-A1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-06 US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 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 (11 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-20180194768-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 MAPK1 2374/4885CA1 1435/4885CA2 1480/4885
US-20160263234-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, VIP, PEPD MAPK1 2301/4885CA1 561/4885CA2 2908/4885
US-20180147291-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, VIP, PEPD MAPK1 2301/4885CA1 561/4885CA2 2908/4885
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B MAPK1 2247/4885CA1 407/4885CA2 848/4885
US-10682419-B2 Prodrugs of peptide epoxy ketone protease inhibitors PREP, VIP, PEPD MAPK1 2301/4885CA1 561/4885CA2 2908/4885
US-20070282100-A1 Boronic ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B MAPK1 2247/4885CA1 407/4885CA2 848/4885
US-20220411426-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 MAPK1 2982/4885CA1 1561/4885CA2 1532/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MAPK1 1/4885CA1 3353/4885CA2 3978/4885
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B MAPK1 2247/4885CA1 407/4885CA2 848/4885
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function VDR, ESRRB, NR5A1 MAPK1 3647/4885CA1 4161/4885CA2 4458/4885
US-20080132678-A1 Boronic ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B MAPK1 2247/4885CA1 407/4885CA2 848/4885

“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.