SCHEMBL868979

SCHEMBL868979

C[N+](C)(C)CCOS(=O)(O)=S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 6/20 0.43
CHRM1 P11229 6/20 0.43
CHRM3 P20309 6/20 0.43
CHRM2 P08172 5/20 0.43
CHRM4 P08173 5/20 0.43
CHRNB2 P17787 4/20 0.43
CHRNA4 P43681 4/20 0.43
CHRNA7 P36544 3/20 0.43
HTR1A P08908 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA1A P35348 1/20 0.43
PGR P06401 1/20 0.43
TBXA2R P21731 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
CYP2C19 P33261 2/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL339065 0.83 CHRM5 (0.44) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL28176595 0.81 CHRM5 (0.43) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL28031252 0.77 CHRM5 (0.42) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL28302064 0.76 CA2 (0.33) LMNATSHR
SCHEMBL29199666 0.76 CHRM5 (0.39) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL15527811 0.75 TSHR (0.55) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL38654756 0.74 CHRM5 (0.41) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL339063 0.73 RECQL (0.45) CHRM5CHRM1CHRM3CHRM2CHRM4
Sulfuric Acid SCHEMBL3968595 0.73 CHRM5 (0.44) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL3788005 0.73 CA1 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150174160-A1 METHODS FOR TREATING, DIAGNOSING AND/OR MONITORING PROGRESSION OF OXO ASSOCIATED STATES PRAVDA JAY (US) 2015-06-25 US claimed
EP-2866565-A2 METHODS FOR TREATING, DIAGNOSING AND/OR MONITORING PROGRESSION OF OXO ASSOCIATED STATES Pravda, Jay (US) 2015-05-06 EP claimed
CN-104582490-A Methods of treating, diagnosing and/or monitoring the progression of oxygen-related diseases PRAVDA JAY 2015-04-29 CN claimed
US-20140335205-A1 MATERIALS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS THERAPEUTIC RES LLC (US) 2014-11-13 US claimed
WO-2014008273-A2 METHODS FOR TREATING, DIAGNOSING AND/OR MONITORING PROGRESSION OF OXO ASSOCIATED STATES PRAVDA JAY (US) 2014-01-09 WO claimed
US-20120322773-A1 MATERIALS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS PRAVDA JAY (US) 2012-12-20 US claimed
US-20100112088-A1 MATERIALS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS PRAVDA JAY 2010-05-06 US claimed
US-10064877-B2 Materials and methods for treatment and diagnosis of disorders associated with oxidative stress THERAPEUTIC RESEARCH, LLC (US) 2018-09-04 US disclosed
US-20170296559-A1 MATERIALS AND METHODS FOR TREATMENT AND DIAGNOSIS OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS THERAPEUTIC RES LLC (US) 2017-10-19 US disclosed
US-20170182067-A1 MATERIALS AND METHODS FOR TREATMENT AND DIAGNOSIS OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS THERAPEUTIC RES LLC (US) 2017-06-29 US disclosed
US-9511049-B2 Materials and methods for treatment and diagnosis of disorders associated with oxidative stress THERAPEUTIC RESEARCH LLC (US) 2016-12-06 US disclosed
US-20150174160-A1 METHODS FOR TREATING, DIAGNOSING AND/OR MONITORING PROGRESSION OF OXO ASSOCIATED STATES PRAVDA JAY (US) 2015-06-25 US disclosed
EP-2866565-A2 METHODS FOR TREATING, DIAGNOSING AND/OR MONITORING PROGRESSION OF OXO ASSOCIATED STATES Pravda, Jay (US) 2015-05-06 EP disclosed
EP-2162125-B1 Composition for rectal administration combined with an oral alpha-lipoic acid composition for the treatment of inflammatory bowel disease PRAVDA JAY (US) 2011-10-19 EP disclosed
US-20100184728-A1 MATERIALS AND METHODS FOR TREATMENT AND DIAGNOSIS OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS THERAPEUTIC RESEARCH LLC (US) 2010-07-22 US disclosed
CN-101707877-A Materials and methods for diagnosis and treatment of oxidative stress disorders JAY PRAVDA 2010-05-12 CN disclosed
US-20100112088-A1 MATERIALS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS PRAVDA JAY 2010-05-06 US disclosed
EP-2162125-A2 MATERIALS AND METHODS FOR TREATMENT AND DIAGNOSIS OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS Pravda, Jay (US) 2010-03-17 EP disclosed
WO-2008156671-A2 MATERIALS AND METHODS FOR TREATMENT AND DIAGNOSIS OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS PRAVDA JAY (US) 2008-12-24 WO disclosed
US-7312243-B1 Materials and methods for treatment of gastrointestinal disorders THERAPEUTIC RESEARCH, LLC 2007-12-25 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-10064877-B2 Materials and methods for treatment and diagnosis of disorders associated with oxidative stress NR3C1, GSTA1, LTC4S CHRM5 821/4885CHRM1 1225/4885CHRM3 2376/4885
US-20100184728-A1 MATERIALS AND METHODS FOR TREATMENT AND DIAGNOSIS OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS NR3C1, GSTA1, LTC4S CHRM5 821/4885CHRM1 1225/4885CHRM3 2376/4885
US-20120322773-A1 MATERIALS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS LPO, ALOX15B, ALOX15 CHRM5 2393/4885CHRM1 2700/4885CHRM3 3139/4885
US-20170296559-A1 MATERIALS AND METHODS FOR TREATMENT AND DIAGNOSIS OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS NR3C1, GSTA1, LTC4S CHRM5 821/4885CHRM1 1225/4885CHRM3 2376/4885
US-20140335205-A1 MATERIALS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS TXN, GPX4, TXN2 CHRM5 3296/4885CHRM1 4194/4885CHRM3 3493/4885
US-20100112088-A1 MATERIALS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS TXN, GPX4, TXN2 CHRM5 3296/4885CHRM1 4194/4885CHRM3 3493/4885
US-20150174160-A1 METHODS FOR TREATING, DIAGNOSING AND/OR MONITORING PROGRESSION OF OXO ASSOCIATED STATES OAT, OTC, HOGA1 CHRM5 3847/4885CHRM1 3405/4885CHRM3 2911/4885
US-20170182067-A1 MATERIALS AND METHODS FOR TREATMENT AND DIAGNOSIS OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS NR3C1, GSTA1, LTC4S CHRM5 821/4885CHRM1 1225/4885CHRM3 2376/4885

“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.