SCHEMBL84561

SCHEMBL84561

CC(C)C(=O)NS(=O)(=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.39
P4HTM Q9NXG6 2/20 0.36
GRIA1 P42261 3/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA4 P22748 1/20 0.32
GAA P10253 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL26337917 0.80 ALDH1A1 (0.44) ALDH1A1NPSR1CA1CA2CA9
SCHEMBL11977264 0.77 CA1 (0.41) ALDH1A1P4HTMGRIA1CA1CA2
SCHEMBL21872080 0.76 P4HTM (0.41) P4HTMGRIA1CA14
SCHEMBL28420215 0.76 ALDH1A1 (0.44) ALDH1A1NPSR1CA1CA2CA9
SCHEMBL208469 0.76 GRIA1 (0.37) P4HTMGRIA1CA2SMN1; SMN2CA14
SCHEMBL4070679 0.76 NPSR1 (0.48) ALDH1A1NPSR1CA1CA2CA9
SCHEMBL20348772 0.75 ALDH1A1 (0.40) ALDH1A1NPSR1CA1CA2CA9
SCHEMBL23869332 0.74 ALDH1A1 (0.42) ALDH1A1NPSR1CA1CA2CA9
SCHEMBL10254652 0.74 ALDH1A1 (0.47) ALDH1A1NPSR1CA1CA2CA9
SCHEMBL24915652 0.74 ALDH1A1 (0.42) ALDH1A1NPSR1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339929-A1 THERAPEUTIC AGENTS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 US disclosed
US-11786519-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2023-10-17 US disclosed
WO-2022006340-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2022-01-06 WO disclosed
WO-2021155004-A1 STRAD-BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-05 WO disclosed
US-10989846-B2 Near infrared absorbing composition, near infrared cut filter, method of manufacturing near infrared cut filter, solid image pickup element, camera module, and image display device FUJIFILM CORPORATION (JP) 2021-04-27 US disclosed
WO-2021050612-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF RESPIRATORY SYNCYTIAL VIRUS CIDARA THERAPEUTICS, INC. (US) 2021-03-18 WO disclosed
US-20200283424-A1 GLP-1R AGONISTS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2020-09-10 US disclosed
US-20180175090-A1 NEAR INFRARED ABSORBING COMPOSITION, FILM, NEAR INFRARED CUT FILTER, AND SOLID IMAGE PICKUP ELEMENT FUJIFILM CORPORATION (JP) 2018-06-21 US disclosed
US-20180175090-A1 NEAR INFRARED ABSORBING COMPOSITION, FILM, NEAR INFRARED CUT FILTER, AND SOLID IMAGE PICKUP ELEMENT FUJIFILM CORPORATION (JP) 2018-06-21 US disclosed
WO-2018102419-A1 COMPOUNDS CONTAINING A SULFONIC GROUP AS KAT INHIBITORS Epizyme, Inc. (US) 2018-06-07 WO disclosed
US-7563785-B2 Quetiapine analogs and methods of use thereof HYPNION, INC. (US) 2009-07-21 US disclosed
US-7563785-B2 Quetiapine analogs and methods of use thereof HYPNION, INC. (US) 2009-07-21 US disclosed
US-20090163514-A1 BENZISOXAZOLE PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF COUGHLIN DANIEL 2009-06-25 US disclosed
US-7524864-B2 Methods of treating sleep disorders HYPNION, INC. (US) 2009-04-28 US disclosed
US-7494998-B2 Benzisoxazole piperazine compounds and methods of use thereof HYPNION, INC. (US) 2009-02-24 US disclosed
US-7482460-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2009-01-27 US disclosed
US-7482460-B2 Doxepin analogs and methods of use thereof HYPNION, INC. (US) 2009-01-27 US disclosed
US-20080214539-A1 Benzisoxazole Piperidine Compounds and Methods of Use Thereof HYPNION, INC. 2008-09-04 US disclosed
US-20070043021-A1 derivatives of 2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine for modulating sleep disorder; side effect reduction HYPNION, INC. 2007-02-22 US disclosed
US-20070004752-A1 Benzisoxazole piperazine compounds and methods of use thereof HYPNION, INC. 2007-01-04 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 (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-20070043021-A1 derivatives of 2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine for modulating sleep disorder; side effect reduction GABRB3, GRIN2C, GABRB2 ALDH1A1 1166/4885NPSR1 86/4885P4HTM 979/4885
US-20080214539-A1 Benzisoxazole Piperidine Compounds and Methods of Use Thereof GABRA5, GABRE, HCRTR2 ALDH1A1 1099/4885NPSR1 348/4885P4HTM 611/4885
US-20070004752-A1 Benzisoxazole piperazine compounds and methods of use thereof GABRA5, HCRTR2, HCRTR1 ALDH1A1 1540/4885NPSR1 205/4885P4HTM 681/4885
US-20230339929-A1 THERAPEUTIC AGENTS AND METHODS OF TREATMENT SLC10A1, HDGF, NHERF1 ALDH1A1 430/4885NPSR1 663/4885P4HTM 1446/4885
US-20090163514-A1 BENZISOXAZOLE PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF GABRA5, HCRTR2, HCRTR1 ALDH1A1 1540/4885NPSR1 205/4885P4HTM 681/4885
US-20200283424-A1 GLP-1R AGONISTS AND USES THEREOF GLP1R, GPR119, GIPR ALDH1A1 564/4885NPSR1 278/4885P4HTM 1268/4885
US-11786519-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases BAX, BCL2, BCL3 ALDH1A1 4319/4885NPSR1 4769/4885P4HTM 3947/4885

“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.