SCHEMBL677736

SCHEMBL677736

CONC1=NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.67
PTGS1 P23219 8/20 0.67
ALOX5 P09917 1/20 0.67
EEF2K O00418 1/20 0.47
SRC P12931 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PSMD14 O00487 1/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL677738 1.00 PTGS2 (0.67) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL677737 1.00 PTGS2 (0.67) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL14478505 0.90 PTGS2 (0.67) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8961980 0.86 PTGS2 (0.68) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8961971 0.86 PTGS2 (0.68) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8961993 0.85 PTGS2 (0.60) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8962140 0.85 PTGS2 (0.60) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8962142 0.85 PTGS2 (0.60) PTGS2PTGS1ALOX5EEF2KSRC
Hydrochloric Acid SCHEMBL7702116 0.84 PTGS2 (0.59) PTGS2PTGS1ALOX5EEF2KSRC
Hydrochloric Acid SCHEMBL7702117 0.84 PTGS2 (0.59) PTGS2PTGS1ALOX5EEF2KSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449216-B1 3,5-di-tertiarybutyl-4-hydroxyphenylmethylene derivatives of 2-substituted thiazolidinones, oxazolidinones, and imidazolidinones as antiinflammatory agents WARNER LAMBERT CO (US) 1996-02-07 EP claimed
US-5143928-A Inhibitors of cyclooxygenase and lipoxygenase WARNER-LAMBERT COMPANY (US) 1992-09-01 US claimed
EP-0449216-A1 3,5-di-tertiarybutyl-4-hydroxyphenylmethylene derivatives of 2-substituted thiazolidinones, oxazolidinones, and imidazolidinones as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1991-10-02 EP claimed
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 US disclosed
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 US disclosed
WO-2014176460-A1 METHODS OF TREATING BEHAVIORIAL AND/OR MENTAL DISORDERS CHAU DAVID T (US) 2014-10-30 WO disclosed
US-8486922-B2 Composition CHEN CHIEN-HUNG (TW) 2013-07-16 US disclosed
US-20130005718-A1 COMPOSITIONS AND METHODS OF TREATING CHRONIC PAIN BY ADMINISTERING PROPOFOL DERIVATIVES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2013-01-03 US disclosed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US disclosed
US-20110281829-A1 NOVEL COMPOSITION IPINTL, LLC (US) 2011-11-17 US disclosed
WO-2011019747-A1 COMPOSITIONS AND METHODS OF TREATING CHRONIC PAIN BY ADMINISTERING PROPOFOL DERIVATIVES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-02-17 WO disclosed
US-20090220583-A1 Method and composition for treating inflammatory disorders MEDA AB (SE) 2009-09-03 US disclosed
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas BIOLIPOX AB (SE) 2008-04-03 US disclosed
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas BIOLIPOX AB (SE) 2008-04-03 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 (4 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-20090220583-A1 Method and composition for treating inflammatory disorders LIPA, HRH2, HRH1 PTGS2 99/4885PTGS1 76/4885ALOX5 25/4885
US-20130005718-A1 COMPOSITIONS AND METHODS OF TREATING CHRONIC PAIN BY ADMINISTERING PROPOFOL DERIVATIVES HCN3, HCN1, HCN2 PTGS2 228/4885PTGS1 227/4885ALOX5 426/4885
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders LIPA, HRH2, HRH1 PTGS2 99/4885PTGS1 76/4885ALOX5 25/4885
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas LTB4R, LTA4H, LTA PTGS2 1253/4885PTGS1 593/4885ALOX5 10/4885

“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.