SCHEMBL2008744

SCHEMBL2008744

COc1cccc(OC)c1OCC(C)N(C)CCc1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.47
CACNA1F O60840 1/20 0.47
CHRM2 P08172 1/20 0.47
ACHE P22303 1/20 0.47
AGTR1 P30556 1/20 0.47
DRD3 P35462 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7699375 0.87 KCNH2 (0.49) KCNH2CACNA1FCHRM2ACHEAGTR1
SCHEMBL7697484 0.87 KCNH2 (0.49) KCNH2CACNA1FCHRM2ACHEAGTR1
SCHEMBL7697481 0.87 KCNH2 (0.49) KCNH2CACNA1FCHRM2ACHEAGTR1
Hydrochloric Acid SCHEMBL7701103 0.86 KCNH2 (0.48) KCNH2CACNA1FCHRM2ACHEAGTR1
Hydrochloric Acid SCHEMBL7696256 0.86 KCNH2 (0.48) KCNH2CACNA1FCHRM2ACHEAGTR1
Hydrochloric Acid SCHEMBL7696254 0.86 KCNH2 (0.48) KCNH2CACNA1FCHRM2ACHEAGTR1
Hydrochloric Acid SCHEMBL7700691 0.83 KCNH2 (0.48) KCNH2CACNA1FCHRM2ACHEAGTR1
Hydrochloric Acid SCHEMBL7701317 0.83 KCNH2 (0.47) KCNH2CACNA1FCHRM2ACHEAGTR1
Hydrochloric Acid SCHEMBL7702535 0.82 KCNH2 (0.47) KCNH2CACNA1FCHRM2ACHEAGTR1
SCHEMBL2008747 0.79 ADRB2 (0.51) KCNH2ADRB2ADRB1ADRB3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362062-B2 Pharmaceutical compositions with improved dissolution MCNEIL-PPC, INC. (US) 2013-01-29 US disclosed
EP-2339328-A2 Pharmaceutical co-crystal compositions of celecoxib Transform Pharmaceuticals, Inc. (US) 2011-06-29 EP disclosed
US-20060134198-A1 Pharmaceutical compositions with improved dissolution JOHNSON & JOHNSON CONSUMER INC. 2006-06-22 US disclosed
US-20060052432-A1 Pharmaceutical compositions with improved dissolution TRANSFORM PHARMACEUTICALS, INC. 2006-03-09 US disclosed
EP-1579198-A1 PHARMACEUTICAL COMPOSITIONS WITH IMPROVED DISSOLUTION Transform Pharmaceuticals, Inc. (US) 2005-09-28 EP disclosed
EP-1515703-A1 PHARMACEUTICAL COMPOSITIONS WITH IMPROVED DISSOLUTION Transform Pharmaceuticals, Inc. (US) 2005-03-23 EP disclosed
US-20050025791-A1 Pharmaceutical compositions with improved dissolution TRANSFORM PHARMACEUTICALS, INC. 2005-02-03 US disclosed
EP-1446118-A1 ORAL DOSAGE FORM OF A SULFONAMIDE PRODRUG SUCH AS PARECOXIB Pharmacia Corporation (US) 2004-08-18 EP disclosed
WO-2004061433-A1 PHARMACEUTICAL COMPOSITIONS WITH IMPROVED DISSOLUTION TRANSFORM PHARMACEUTICALS, INC. (US) 2004-07-22 WO disclosed
WO-2004026235-A2 PHARMACEUTICAL COMPOSITIONS WITH IMPROVED DISSOLUTION TRANSFORM PHARMACEUTICALS, INC. (US) 2004-04-01 WO disclosed
WO-2004000284-A1 PHARMACEUTICAL COMPOSITIONS WITH IMPROVED DISSOLUTION TRANSFORM PHARMACEUTICALS, INC. (US) 2003-12-31 WO disclosed
US-20030100595-A1 Oral dosage form of a sulfonamide prodrug PHARMACIA CORPORATION 2003-05-29 US disclosed
WO-2003041705-A1 ORAL DOSAGE FORM OF A SULFONAMIDE PRODRUG SUCH AS PARECOXIB PHARMACIA CORPORATION (US) 2003-05-22 WO 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-20050025791-A1 Pharmaceutical compositions with improved dissolution ABCG2, SI, SLC10A2 KCNH2 4575/4885CACNA1F 1742/4885CHRM2 2561/4885
US-20030100595-A1 Oral dosage form of a sulfonamide prodrug PTGS2, PTGES2, SI KCNH2 3986/4885CACNA1F 1979/4885CHRM2 3821/4885
US-20060052432-A1 Pharmaceutical compositions with improved dissolution ABCG2, SI, SLC10A2 KCNH2 4449/4885CACNA1F 1683/4885CHRM2 2306/4885
US-20060134198-A1 Pharmaceutical compositions with improved dissolution ABCG2, SI, SLC10A2 KCNH2 4449/4885CACNA1F 1683/4885CHRM2 2306/4885

“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.