SCHEMBL6830674

SCHEMBL6830674

CCNS(=O)(=O)CCCCl

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RELA Q04206 4/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7103246 0.91 RELA (0.39) RELATSHRTDP1CA2ALDH1A1
SCHEMBL9233467 0.85
SCHEMBL6827393 0.82 CA1 (0.46) RELATSHRTDP1CA12CA1
SCHEMBL3816066 0.80 CA1 (0.52) RELATSHRTDP1CA12CA1
SCHEMBL2010127 0.80 CA1 (0.44) RELACA12CA1CA2CA7
SCHEMBL7432483 0.78 RELA (0.50) RELACA12CA1CA2CA7
SCHEMBL7691856 0.76 RELA (0.53) RELACA1CA2
SCHEMBL11883426 0.76 RELA (0.53) RELACA1CA2
SCHEMBL21236089 0.76 RELA (0.49) RELATSHRCA12CA1CA2
Hydrochloric Acid SCHEMBL28232067 0.76 RELA (0.49) RELACA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266814-B2 Use of nitrooxy organic molecules in feed for reducing methane emission in ruminants, and/or to improve ruminant performance DSM IP ASSETS B.V. (NL) 2016-02-23 US disclosed
US-20150376113-A1 USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS BV (NL) 2015-12-31 US disclosed
US-20140147529-A1 USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2014-05-29 US disclosed
WO-2012084629-A1 USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2012-06-28 WO disclosed
US-6743923-B2 A BENZYLIDENE DERIVATIVES USED FOR OSTEOCLAST FORMATION INHIBITION, A NITROGEN MONOXIDE PRODUCTION INHIBITION, AND A TRANSCRIPTION FACTOR NF KAPPA B SUPRESSING AGENT SHIONOGI & CO., LTD. (JP) 2004-06-01 US disclosed
CN-1127492-C Antirheumatic SHIONOJI & CO LTD (JP) 2003-11-12 CN disclosed
US-6632452-B1 Antiinflammatory agent or an antioxidant; adding an organic acid or an inorganic acid to tablet; (E)-2-ethyl-5-(3,5-di-tert-butyl-4-hydroxy)benzyliden-1,2-isothiazolidin-1,1-dioxide SHIONOGI & CO., LTD. (JP) 2003-10-14 US disclosed
US-20030125364-A1 Antirheumatic agent MATSUMOTO SAICHI (JP) 2003-07-03 US disclosed
US-6525081-B1 Inhibiting osteoclast formation and nitrogen monoxide production; suppressing transcription factor NF kappa B SHIONOGI & CO., LTD. (JP) 2003-02-25 US disclosed
CN-1343119-A Medicinal composition for delaying color change of phenolic hydroxyl compound SHIONOGI & CO (JP) 2002-04-03 CN disclosed
EP-1151750-A1 MEDICINAL COMPOSITIONS RETARDED IN THE DISCOLORATION OF PHENOLIC HYDROXYL COMPOUNDS SHIONOGI & CO., LTD. (JP) 2001-11-07 EP disclosed
CN-1283194-A Antirheumatic SHIONOJI & CO LTD (JP) 2001-02-07 CN disclosed
EP-1026162-A1 ANTIRHEUMATIC SHIONOGI & CO., LTD. (JP) 2000-08-09 EP disclosed
EP-0595546-B1 Benzylidene derivatives SHIONOGI & CO (JP) 1996-03-20 EP disclosed
US-5418230-A Antiinflammatory SHIONOGI & CO., LTD. (JP) 1995-05-23 US disclosed
EP-0595546-A1 Benzylidene derivatives SHIONOGI & CO., LTD. (JP) 1994-05-04 EP 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 (3 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-20030125364-A1 Antirheumatic agent IL1A, IL1B, IL17A RELA 279/4885TSHR 3434/4885TDP1 2154/4885
US-20140147529-A1 USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE MLNR, PIGS, MTR RELA 1498/4885TSHR 568/4885TDP1 3279/4885
US-20150376113-A1 USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE MLNR, PIGS, MTR RELA 1498/4885TSHR 568/4885TDP1 3279/4885

“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.