Lithium

Lithium

SCHEMBL4589251

CCCCCCCCCCC=CC=CC1OC1c1cccc(C(=O)O)c1.[Li]

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
FASN P49327 1/20 0.39
FAAH O00519 2/20 0.39
F7 P08709 3/20 0.38
F3 P13726 3/20 0.38
MMP2 P08253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ECE1 P42892 1/20 0.38
SGMS1 Q86VZ5 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
MUS81 Q96NY9 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
TLR2 O60603 2/20 0.38
PLA2G4B P0C869 1/20 0.38
EPHX2 P34913 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER2 P43116 1/20 0.37

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
SCHEMBL8416786 0.99 ALOX5 (0.43) ALOX5FASNFAAHF7F3
SCHEMBL8416790 0.99 ALOX5 (0.43) ALOX5FASNFAAHF7F3
SCHEMBL5446324 0.98 ALOX5 (0.42) ALOX5FASNFAAHF7F3
SCHEMBL8417338 0.91 F7 (0.41) F7F3MMP2KDM4EMAPT
SCHEMBL8417334 0.91 F7 (0.41) F7F3MMP2KDM4EMAPT
SCHEMBL8415858 0.87 GRM2 (0.41) ALOX5FAAHTLR2EPHX2
SCHEMBL8415854 0.87 GRM2 (0.41) ALOX5FAAHTLR2EPHX2
SCHEMBL8415827 0.86 GRM2 (0.41) ALOX5FAAHTLR2EPHX2
SCHEMBL8415851 0.86 GRM2 (0.41) ALOX5FAAHTLR2EPHX2
SCHEMBL8416773 0.86 GRM2 (0.41) ALOX5FAAHTLR2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442802-B2 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. (US) 2008-10-28 US disclosed
US-7432285-B2 Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use NITROMED, INC. (US) 2008-10-07 US disclosed
US-7259266-B2 Benzopyran compounds useful for treating inflammatory conditions PHARMACIA CORPORATION (US) 2007-08-21 US disclosed
US-20070072921-A1 CRYSTALLINE FORM OF 4-[5-METHYL-3-PHENYLISOXAZOL-4-YL] BENZENESULFONAMIDE TALLEY JOHN J 2007-03-29 US disclosed
US-20070060571-A1 Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use NITROMED, INC. (US) 2007-03-15 US disclosed
US-7166618-B2 Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use NITROMED, INC. (US) 2007-01-23 US disclosed
US-7138411-B2 Substituted benzopyran derivatives for the treatment of inflammation G.D. SEARLE & CO. (US) 2006-11-21 US disclosed
US-7135489-B2 Cyclooxygenase inhibitors; antiinflammatory agents G. D. SEARLE & CO. (US) 2006-11-14 US disclosed
US-7109211-B2 Substituted benzopyran derivatives for the treatment of inflammation PHARMACIA CORPORATION (OF PFIZER, INC.) (US) 2006-09-19 US disclosed
US-20060194861-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. (US) 2006-08-31 US disclosed
EP-1283203-A1 Crystalline form of 4-(5-methyl-3-phenylisoxazol-4-yl) benzene-sulfonamide G.D. SEARLE & CO. (US) 2003-02-12 EP disclosed
US-20030004200-A1 Cyclooxygenase inhibitors; antiinflammatory agents G.D. SEARLE & CO. 2003-01-02 US disclosed
US-6492390-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS. G.D. SEARLE & CO. 2002-12-10 US disclosed
EP-0920422-B1 CRYTALLINE FORM OF 4-[5-METHYL-3-PHENYLISOXAZOL-4-YL]BENZENESULFONAMIDE SEARLE & CO (US) 2002-11-20 EP disclosed
US-6441014-B2 ANTIINFLAMMATORY AGENT, USEFUL FOR TREATING CYLCOOCYGENASE-2 ASSOCIATED DISORDERS G.D. SEARLE & CO. 2002-08-27 US disclosed
US-20020010206-A1 Substituted benzopyran analogs for the treatment of inflammation G.D. SEARLE & CO. (US) 2002-01-24 US disclosed
US-6271253-B1 CYCLOOXYGENASE INHIBITORS G.D. SEARLE & CO. 2001-08-07 US disclosed
US-20010003752-A1 Antiinflammatory agent, useful for treating cylcoocygenase-2 associated disorders G.D. SEARLE & CO. (US) 2001-06-14 US disclosed
US-6034256-A CYCLOOXYGEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-03-07 US disclosed
US-5935990-A PYRROLYL DERIVATIVES HAVING AT POSITION 1 OR 5 A PHENYL SUBSTITUTED WITH METHYLSULFONYL OR AMINOSULFONYL; INHIBIT CYCLOOXYGENASE-2 FOR USE TREATMENT OF INFLAMMATION, AS AN ANALGESIC, OR AS AN ANTIPYRETIC G.D. SEARLE & CO. (US) 1999-08-10 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 (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-20020010206-A1 Substituted benzopyran analogs for the treatment of inflammation PTGS1, IL1R1, PTGES2 ALOX5 416/4885FASN 828/4885FAAH 499/4885
US-20070060571-A1 Nitrosated and nitrosylated cyclooxygenase-2 inhibitors, compositions and methods of use NOS2, PTGS2, PTGIS ALOX5 25/4885FASN 102/4885FAAH 292/4885
US-20060194861-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use PTGS2, PTGIS, PTGES2 ALOX5 20/4885FASN 79/4885FAAH 114/4885

“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.