SCHEMBL84558

SCHEMBL84558

CC(C)C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.35
AAK1 Q2M2I8 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
SCN9A Q15858 7/20 0.32
SMYD3 Q9H7B4 1/20 0.32
MMP1 P03956 1/20 0.31
MMP7 P09237 1/20 0.31
MMP12 P39900 1/20 0.31
ECE1 P42892 1/20 0.31
MMP13 P45452 1/20 0.31
SCN5A Q14524 2/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL19627413 0.92 MMP1 (0.39) ALDH1A1NPSR1SCN9AMMP1MMP7
SCHEMBL20000429 0.91 CNR2 (0.33) ALDH1A1NPSR1MRGPRX1AAK1NR1H4
SCHEMBL19627405 0.90 MMP1 (0.41) ALDH1A1SCN9AMMP1MMP7MMP12
SCHEMBL19068743 0.85 NR1H4 (0.34) ALDH1A1NR1H4
SCHEMBL24045535 0.81
SCHEMBL27303115 0.80 NR1H4 (0.39) NR1H4SCN9ASMYD3MMP1MMP7
SCHEMBL27261623 0.80 NR1H4 (0.39) NR1H4SCN9ASMYD3MMP1MMP7
SCHEMBL27270045 0.80 NR1H4 (0.39) NR1H4SCN9ASMYD3MMP1MMP7
SCHEMBL22991219 0.77 CA1 (0.40) ALDH1A1NR1H4SCN9ASMYD3MMP1
SCHEMBL19299674 0.75 EPHX2 (0.38) ALDH1A1NR1H4MMP1MMP7MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024026338-A1 N-HETEROCYLIC GPCR RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND METHODS FOR THEIR USE CARMOT THERAPEUTICS, INC. (US) 2024-02-01 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-11702404-B2 GLP-1R modulating compounds GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-11702404-B2 GLP-1R modulating compounds GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-11649229-B2 Amide compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 US disclosed
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-02-09 US disclosed
US-20220372031-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANGHAI LONGWOOD BIOPHARMACEUTICALS CO., LTD. (CN) 2022-11-24 US disclosed
US-11370785-B2 Multicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-06-28 US disclosed
CN-114206884-A Thienopyrimidine derivatives as ACC inhibitors and uses thereof 吉利德科学公司 2022-03-18 CN disclosed
US-20210380578-A1 MULTICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-12-09 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-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-20080214539-A1 Benzisoxazole Piperidine Compounds and Methods of Use Thereof HYPNION, INC. 2008-09-04 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 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 (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-11370785-B2 Multicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, GPBAR1 ALDH1A1 2905/4885NPSR1 461/4885MRGPRX1 206/4885
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 86/4885MRGPRX1 621/4885
US-20080214539-A1 Benzisoxazole Piperidine Compounds and Methods of Use Thereof GABRA5, GABRE, HCRTR2 ALDH1A1 1099/4885NPSR1 348/4885MRGPRX1 696/4885
US-20070004752-A1 Benzisoxazole piperazine compounds and methods of use thereof GABRA5, HCRTR2, HCRTR1 ALDH1A1 1540/4885NPSR1 205/4885MRGPRX1 498/4885
US-20220372031-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF PDCD1, CD274, PDCD1LG2 ALDH1A1 257/4885NPSR1 2411/4885MRGPRX1 2917/4885
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 ALDH1A1 3412/4885NPSR1 2588/4885MRGPRX1 1613/4885
US-11649229-B2 Amide compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH ALDH1A1 3393/4885NPSR1 2617/4885MRGPRX1 84/4885
US-20210380578-A1 MULTICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, GPBAR1 ALDH1A1 2905/4885NPSR1 461/4885MRGPRX1 206/4885
US-11702404-B2 GLP-1R modulating compounds GLP1R, GIPR, GPR119 ALDH1A1 3556/4885NPSR1 466/4885MRGPRX1 162/4885
US-20090163514-A1 BENZISOXAZOLE PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF GABRA5, HCRTR2, HCRTR1 ALDH1A1 1540/4885NPSR1 205/4885MRGPRX1 498/4885
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 ALDH1A1 1900/4885NPSR1 4187/4885MRGPRX1 2558/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 ALDH1A1 86/4885NPSR1 1797/4885MRGPRX1 1401/4885

“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.