SCHEMBL84555

SCHEMBL84555

CC(C)(C)c1nsc(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6897080 0.69 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL21649805 0.67
SCHEMBL4900640 0.62
SCHEMBL19347044 0.62
SCHEMBL9207641 0.60 L3MBTL1 (0.40) L3MBTL1
SCHEMBL21649807 0.59
SCHEMBL15096761 0.57 L3MBTL1 (0.38) L3MBTL1
SCHEMBL21324849 0.57 L3MBTL1 (0.57) L3MBTL1
SCHEMBL13543000 0.57 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL18701505 0.56 L3MBTL1 (0.61) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239809-A1 THERAPEUTIC AGENTS FOR ENHANCING EPITHELIAL AND/OR ENDOTHELIAL BARRIER FUNCTION ARTUS THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-20240217979-A1 GluN2 Subunit Selective Antagonists of the N-Methyl-D-Aspartate Receptors UNIV EMORY (US) 2024-07-04 US disclosed
US-20230193231-A1 ENGINEERED GENE-EDITING PROTEINS FACTOR BIOSCIENCE INC. 2023-06-22 US disclosed
US-20230111853-A1 COMPOUNDS MODULATING PROTEIN RECRUITMENT AND/OR DEGRADATION ORIONIS BIOSCIENCES, INC. 2023-04-13 US disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-20220169611-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer AMGEN INC (US) 2022-06-02 US disclosed
US-20220127302-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF BILE ACID DERIVATIVES INTERCEPT PHARMACEUTICALS, INC. 2022-04-28 US disclosed
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 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-20080255073-A1 COMPOUNDS FOR SUSTAINED RELEASE OF ORALLY DELIVERED DRUGS XONOPORT, INC. (US) 2008-10-16 US disclosed
US-20080214539-A1 Benzisoxazole Piperidine Compounds and Methods of Use Thereof HYPNION, INC. 2008-09-04 US disclosed
US-7408065-B2 P2X7 receptor antagonists and their use ASTRAZENECA AB (SE) 2008-08-05 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-20070015716-A1 Bile-acid derived compounds for enhancing oral absorption and systemic bioavailability of drugs XENOPORT, INC. 2007-01-18 US disclosed
US-20070004752-A1 Benzisoxazole piperazine compounds and methods of use thereof HYPNION, INC. 2007-01-04 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 (13 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-20080255073-A1 COMPOUNDS FOR SUSTAINED RELEASE OF ORALLY DELIVERED DRUGS ABCB11, ABCB1, SLC10A1 PTGS1 634/4885PTGS2 402/4885L3MBTL1 4383/4885
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 PTGS1 763/4885PTGS2 960/4885L3MBTL1 2252/4885
US-20230111853-A1 COMPOUNDS MODULATING PROTEIN RECRUITMENT AND/OR DEGRADATION CRBN, STUB1, ADRM1 PTGS1 4097/4885PTGS2 4253/4885L3MBTL1 2188/4885
US-20080214539-A1 Benzisoxazole Piperidine Compounds and Methods of Use Thereof GABRA5, GABRE, HCRTR2 PTGS1 1227/4885PTGS2 1077/4885L3MBTL1 4527/4885
US-20070004752-A1 Benzisoxazole piperazine compounds and methods of use thereof GABRA5, HCRTR2, HCRTR1 PTGS1 1364/4885PTGS2 791/4885L3MBTL1 4536/4885
US-20070015716-A1 Bile-acid derived compounds for enhancing oral absorption and systemic bioavailability of drugs SLC10A2, ABCB11, SLC10A1 PTGS1 734/4885PTGS2 683/4885L3MBTL1 4711/4885
US-20220169611-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer MDM2, TP53, CDKN1A PTGS1 590/4885PTGS2 1180/4885L3MBTL1 3993/4885
US-20240217979-A1 GluN2 Subunit Selective Antagonists of the N-Methyl-D-Aspartate Receptors GRIN2B, GRIN2A, GRIN2C PTGS1 458/4885PTGS2 173/4885L3MBTL1 2968/4885
US-20220127302-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF BILE ACID DERIVATIVES SLC10A1, SLC10A2, CYP7A1 PTGS1 1974/4885PTGS2 2975/4885L3MBTL1 4739/4885
US-20240239809-A1 THERAPEUTIC AGENTS FOR ENHANCING EPITHELIAL AND/OR ENDOTHELIAL BARRIER FUNCTION LIPG, FABP2, EPCAM PTGS1 238/4885PTGS2 400/4885L3MBTL1 4597/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 PTGS1 932/4885PTGS2 906/4885L3MBTL1 4465/4885
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN PTGS1 1945/4885PTGS2 2516/4885L3MBTL1 2569/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 PTGS1 932/4885PTGS2 906/4885L3MBTL1 4465/4885

“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.