SCHEMBL85214

SCHEMBL85214

CCN(CC)S(=O)(=O)NC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA7 P43166 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA12 O43570 1/20 0.43
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
CA2 P00918 1/20 0.31
TSHR P16473 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 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
SCHEMBL19630960 0.83 CA12 (0.36) CA1CA7CA14CA12LMNA
SCHEMBL85044 0.82 CA1 (0.35) CA1CA7CA14CA12LMNA
SCHEMBL19631038 0.76 CA12 (0.39) CA1CA7CA14CA12LMNA
SCHEMBL85558 0.76 CA1 (0.44) CA1CA7CA14CA12HTT
SCHEMBL13799203 0.75 GAA (0.33) CA1CA7CA14CA12CNR2
SCHEMBL13940756 0.75 CA12 (0.75) CA1CA7CA14CA12LMNA
SCHEMBL92835 0.74 CA12 (0.38) CA1CA7CA14CA12LMNA
SCHEMBL6308658 0.73 ALDH1A1 (0.35) CA1CA7CA14CA12CNR2
SCHEMBL13627742 0.72 CA12 (0.49) CA1CA7CA14CA12LMNA
SCHEMBL20988317 0.69 LMNA (0.40) CA1CA7CA14CA12LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334894-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-8129410-B2 Sleep maintenance insomnia; circadian rhythm abnormalities; side effect reduction HYPNION, INC. (US) 2012-03-06 US disclosed
US-8101596-B2 Loxapine analogs and methods of use thereof HYPNION INC. (US) 2012-01-24 US disclosed
US-8088778-B2 Benzisoxazole piperazine compounds and methods of use thereof HYPNION, INC. (US) 2012-01-03 US disclosed
US-8088778-B2 Benzisoxazole piperazine compounds and methods of use thereof HYPNION, INC. (US) 2012-01-03 US disclosed
US-7807828-B2 Olanzapine analogs and methods of use thereof HYPNION, INC. (US) 2010-10-05 US disclosed
US-7807828-B2 Olanzapine analogs and methods of use thereof HYPNION, INC. (US) 2010-10-05 US disclosed
US-7592333-B2 Loxapine analogs and methods of use thereof HYPNION, INC. (US) 2009-09-22 US disclosed
US-20090186872-A1 LOXAPINE ANALOGS AND METHODS OF USE THEREOF EDGAR DALE M 2009-07-23 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-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-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-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-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 (6 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 CA1 3793/4885CA7 4764/4885CA14 4730/4885
US-20080214539-A1 Benzisoxazole Piperidine Compounds and Methods of Use Thereof GABRA5, GABRE, HCRTR2 CA1 1782/4885CA7 1916/4885CA14 3401/4885
US-20070004752-A1 Benzisoxazole piperazine compounds and methods of use thereof GABRA5, HCRTR2, HCRTR1 CA1 1748/4885CA7 1661/4885CA14 3293/4885
US-20090163514-A1 BENZISOXAZOLE PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF GABRA5, HCRTR2, HCRTR1 CA1 1748/4885CA7 1661/4885CA14 3293/4885
US-20170334894-A1 Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof SLC10A1, FXR1, NR1H4 CA1 2031/4885CA7 2144/4885CA14 3222/4885
US-20090186872-A1 LOXAPINE ANALOGS AND METHODS OF USE THEREOF HCRTR2, HCRTR1, HTR3B CA1 3242/4885CA7 4496/4885CA14 4553/4885

“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.