SCHEMBL1092160

SCHEMBL1092160

COC(=O)C1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 18/20 1.00
▸ CASP7 P55210 11/20 0.67
▸ CASP9 P55211 4/20 0.67
▸ CASP1 P29466 7/20 0.66
▸ CASP2 P42575 3/20 0.57
▸ CASP6 P55212 3/20 0.57
▸ CASP4 P49662 2/20 0.57
▸ CASP8 Q14790 2/20 0.57

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
SCHEMBL1092156 1.00 CASP3 (1.00) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6535370 0.89 CASP3 (1.00) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6535374 0.89 CASP3 (1.00) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6536379 0.88 CASP3 (0.78) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6535574 0.86 CASP3 (0.76) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6535570 0.86 CASP3 (0.76) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6535354 0.85 CASP3 (1.00) CASP3CASP7CASP9CASP1CASP2
SCHEMBL7484695 0.83 CASP3 (0.71) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6535351 0.81 CASP3 (0.68) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6535352 0.81 CASP3 (0.68) CASP3CASP7CASP9CASP1CASP2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080233102-A1 Drug Therapy for Celiac Sprue THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2008-09-25 — — US claimed
JP-2007511607-A — — 2007-05-10 — — JP claimed
EP-1706129-A1 DRUG THERAPY FOR CELIAC SPRUE The Board of Trustees of The Leland Stanford Junior University (US) 2006-10-04 — — EP claimed
WO-2005049064-A1 DRUG THERAPY FOR CELIAC SPRUE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2005-06-02 — — WO claimed
US-6403792-B1 INHIBIT PRODUCTION OF CASPASE 3 AND 7 IN MAMMALS SMITHKLINE BEECHAM CORPORATION 2002-06-11 — — US claimed
US-8871718-B2 Transglutaminase inhibitors and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-10-28 — — US disclosed
US-8470782-B2 Transglutaminase inhibitors and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-06-25 — — US disclosed
US-20130102633-A1 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-04-25 — — US disclosed
US-8153593-B2 Transglutaminase inhibitors and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-04-10 — — US disclosed
US-20110286995-A1 Drug Therapy for Celiac Sprue THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2011-11-24 — — US disclosed
US-20090312272-A1 Transglutaminase inhibitors and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY; AND THE WASHINGTON UNIVERSITY 2009-12-17 — — US disclosed
US-7579313-B2 Administering to a patient an effective dose of [(S)-1-[(3-Bromo-4,5-dihydro-isoxazol-5-ylmethyl)-methyl-carbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-carbamic acid benzyl ester; treatment of glioblastoma, meningioma, melanoma and colon cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-08-25 — — US disclosed
US-20090042806-A1 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2009-02-12 — — US disclosed
EP-1931205-A2 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-06-18 — — EP disclosed
US-20080044401-A1 DRUG THERAPY FOR CELIAC SPRUE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2008-02-21 — — US disclosed
US-7265093-B2 Drug therapy for Celiac Sprue THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-09-04 — — US disclosed
WO-2007025247-A2 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-03-01 — — WO disclosed
US-20060052308-A1 Administering to a patient an effective dose of [(S)-1-[(3-Bromo-4,5-dihydro-isoxazol-5-ylmethyl)-methyl-carbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-carbamic acid benzyl ester; treatment of glioblastoma, meningioma, melanoma and colon cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2006-03-09 — — US disclosed
US-20040167069-A1 Drug therapy for Celiac Sprue NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-08-26 — — US disclosed
US-6403792-B1 INHIBIT PRODUCTION OF CASPASE 3 AND 7 IN MAMMALS SMITHKLINE BEECHAM CORPORATION 2002-06-11 — — 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 (8 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-20080044401-A1 DRUG THERAPY FOR CELIAC SPRUE SI, DNPEP, SPINT2 CASP3 647/4885CASP7 691/4885CASP9 725/4885
US-20090042806-A1 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF TGM2, TGM3, TGM1 CASP3 3728/4885CASP7 3210/4885CASP9 3496/4885
US-20080233102-A1 Drug Therapy for Celiac Sprue SI, DNPEP, SPINT2 CASP3 647/4885CASP7 691/4885CASP9 725/4885
US-20130102633-A1 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF TGM2, TGM3, TGM1 CASP3 3728/4885CASP7 3210/4885CASP9 3496/4885
US-20110286995-A1 Drug Therapy for Celiac Sprue SI, DNPEP, SPINT2 CASP3 647/4885CASP7 691/4885CASP9 725/4885
US-20060052308-A1 Administering to a patient an effective dose of [(S)-1-[(3-Bromo-4,5-dihydro-isoxazol-5-ylmethyl)-methyl-carbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-carbamic acid benzyl ester; treatment of glioblastoma, meningioma, melanoma and colon cancer MGMT, GMFG, HNMT CASP3 1380/4885CASP7 919/4885CASP9 1849/4885
US-20040167069-A1 Drug therapy for Celiac Sprue SI, DNPEP, SPINT2 CASP3 647/4885CASP7 691/4885CASP9 725/4885
US-20090312272-A1 Transglutaminase inhibitors and methods of use thereof TGM2, TGM3, TGM1 CASP3 3728/4885CASP7 3210/4885CASP9 3496/4885

“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.

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