SCHEMBL1104783

SCHEMBL1104783

CC(C)c1cc[nH]c(=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
TYR P14679 3/20 0.39
HDAC4 P56524 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX12 P18054 2/20 0.39
HTT P42858 2/20 0.39
RNASEH1 O60930 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MDM4 O15151 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
CA5A P35218 1/20 0.39
MDM2 Q00987 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL28018145 0.83 NOTUM (0.39) NOTUMTP53GRM8GRM4SCN8A
SCHEMBL24253389 0.83 GRM8 (0.42) NOTUMGRM8GRM4FKBP5CRBN
SCHEMBL19441070 0.83 NOTUM (0.39) NOTUMTP53GRM8GRM4SCN8A
SCHEMBL28265713 0.82 HDAC6 (0.45) NOTUMTP53GRM8GRM4SCN8A
SCHEMBL19365913 0.79 HDAC4 (0.46) NOTUMHDAC4HDAC8HPGDALDH1A1
SCHEMBL18650816 0.79 NOTUM (0.59) NOTUMTYRHDAC4HDAC8HPGD
SCHEMBL22151411 0.78 NOTUM (0.58) NOTUMCYP3A4SCN8ASCN10AHDAC6
SCHEMBL18474686 0.77 GRM8 (0.39) NOTUMHDAC4HDAC8CA2SMN1; SMN2
SCHEMBL24826394 0.74 LMNA (0.37) TYRHDAC4HDAC8HPGDALDH1A1
SCHEMBL27377916 0.74 NOTUM (0.37) NOTUMGRM8GRM4PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151833-A1 SPIRO DERIVATIVES AS M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-07-18 WO disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
WO-2024044731-A1 DIAZEPINO-THIENO-QUINOXALINE COMPOUNDS AND THEIR USE IN THERAPY MATCHPOINT THERAPEUTICS INC. (US) 2024-02-29 WO disclosed
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
US-20230399322-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. 2023-12-14 US disclosed
US-20230399322-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. 2023-12-14 US disclosed
US-20230357258-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230357258-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-11-09 US disclosed
WO-2023212693-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PETRA PHARMA CORPORATION (US) 2023-11-02 WO disclosed
US-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-01 US disclosed
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2009-09-03 US disclosed
US-20090209559-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 US disclosed
US-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2009-03-05 US disclosed
US-20080207609-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 US disclosed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 US disclosed
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIRAMED LIMITED (GB) 2008-03-27 US disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 US disclosed
US-7217712-B2 4-Substituted-5-cyano-1H-pyrimidin-6-(thi)ones as GSK-3 inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-15 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 (12 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-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCC4, ABCB1 NOTUM 4482/4885TYR 4826/4885HDAC4 3120/4885
US-20230399322-A1 EIF4E INHIBITORS AND USES THEREOF EIF4E, EIF4EBP1, EIF4A1 NOTUM 3220/4885TYR 3724/4885HDAC4 1569/4885
US-20230357258-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 NOTUM 819/4885TYR 3083/4885HDAC4 899/4885
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 NOTUM 2689/4885TYR 1118/4885HDAC4 2732/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 NOTUM 2628/4885TYR 470/4885HDAC4 1486/4885
US-20090209559-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3CD NOTUM 3154/4885TYR 1377/4885HDAC4 2450/4885
US-20090062261-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP NR4A1, NR0B2, NR0B1 NOTUM 3462/4885TYR 2935/4885HDAC4 309/4885
US-20080132507-A1 Hydrazide Derivatives H1-10, H1-4, H1-3 NOTUM 4107/4885TYR 1087/4885HDAC4 36/4885
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIK3CA, PIK3CD, PIK3CB NOTUM 2348/4885TYR 2305/4885HDAC4 1909/4885
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 NOTUM 3928/4885TYR 4803/4885HDAC4 2800/4885
US-20080207609-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 NOTUM 3146/4885TYR 1348/4885HDAC4 2654/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 NOTUM 4281/4885TYR 981/4885HDAC4 637/4885

“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.