SCHEMBL2008747

SCHEMBL2008747

COc1cccc(OC)c1OCC(C)CNCCc1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.51
ADRB1 P08588 3/20 0.51
ADRB3 P13945 3/20 0.51
KCNH2 Q12809 5/20 0.50
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL2008744 0.79 KCNH2 (0.47) ADRB2ADRB1ADRB3KCNH2KDM4E
SCHEMBL8214793 0.73 KCNH2 (0.49) ADRB2ADRB1ADRB3KCNH2SLC6A2
Hydrochloric Acid SCHEMBL8217971 0.73 KCNH2 (0.48) ADRB2ADRB1ADRB3KCNH2SLC6A2
SCHEMBL7699543 0.71 KCNH2 (0.58) ADRB2ADRB1ADRB3KCNH2KDM4E
Hydrochloric Acid SCHEMBL7701677 0.70 KCNH2 (0.57) ADRB2ADRB1ADRB3KCNH2
SCHEMBL6140360 0.70 KCNH2 (0.50) KCNH2KDM4E
SCHEMBL9654030 0.68 ADRB1 (0.82) ADRB2ADRB1ADRB3KCNH2SLC6A2
SCHEMBL9386639 0.68 KDM4E (0.59) ADRB2ADRB1ADRB3KCNH2SLC6A2
SCHEMBL9384685 0.68 ADRB2 (0.57) ADRB2ADRB1ADRB3KCNH2SLC6A2
SCHEMBL17143188 0.67 LMNA (0.58) ADRB2ADRB1ADRB3KCNH2KDM4E

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 6 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
US-20050025791-A1 Pharmaceutical compositions with improved dissolution TRANSFORM PHARMACEUTICALS, INC. 2005-02-03 US disclosed
US-20030100595-A1 Oral dosage form of a sulfonamide prodrug PHARMACIA CORPORATION 2003-05-29 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-20050025791-A1 Pharmaceutical compositions with improved dissolution ABCG2, SI, SLC10A2 ADRB2 2605/4885ADRB1 3031/4885ADRB3 2061/4885
US-20030100595-A1 Oral dosage form of a sulfonamide prodrug PTGS2, PTGES2, SI ADRB2 4254/4885ADRB1 4765/4885ADRB3 4816/4885
US-20060052432-A1 Pharmaceutical compositions with improved dissolution ABCG2, SI, SLC10A2 ADRB2 2898/4885ADRB1 3177/4885ADRB3 2349/4885
US-20060134198-A1 Pharmaceutical compositions with improved dissolution ABCG2, SI, SLC10A2 ADRB2 2898/4885ADRB1 3177/4885ADRB3 2349/4885

“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.