SCHEMBL2452137

SCHEMBL2452137

COC(=O)c1cccc(CC(C)(C)NC[C@@H](O[Si](C)(C)C(C)(C)C)c2ccc(OCc3ccccc3)c(NS(C)(=O)=O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.44
NR3C1 P04150 1/20 0.40
ADRB3 P13945 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
MRGPRX4 Q96LA9 3/20 0.39
ESRRA P11474 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
PPIA P62937 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
SCHEMBL2452136 1.00 ADRB2 (0.44) ADRB2NR3C1ADRB3PDE4APDE4B
SCHEMBL13842583 0.90 ADRB2 (0.45) ADRB2ADRB3PDE4APDE4BPDE4C
SCHEMBL5037668 0.90 ADRB2 (0.47) ADRB2ADRB3PDE4APDE4BPDE4C
SCHEMBL2962080 0.89 ADRB2 (0.48) ADRB2ADRB3PDE4APDE4BPDE4C
SCHEMBL2962085 0.89 ADRB2 (0.48) ADRB2ADRB3PDE4APDE4BPDE4C
SCHEMBL5037003 0.88 ADRB2 (0.44) ADRB2ADRB3TRPV1
SCHEMBL5037004 0.88 ADRB2 (0.44) ADRB2ADRB3TRPV1
SCHEMBL12305648 0.88 ADRB2 (0.44) ADRB2NR3C1ADRB3PDE4APDE4B
SCHEMBL2452521 0.88 ADRB2 (0.54) ADRB2ADRB3
SCHEMBL2452518 0.88 ADRB2 (0.54) ADRB2ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013019-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2011-09-06 US disclosed
US-20100273758-A1 Sulfonamide Derivatives For The Treatment Of Diseases BROWN ALAN DANIEL 2010-10-28 US disclosed
US-7767715-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2010-08-03 US disclosed
US-20090197912-A1 Sulfonamide Derivatives for the Treatment of Diseases BROWN ALAN DANIEL 2009-08-06 US disclosed
US-7528170-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC. (US) 2009-05-05 US disclosed
US-20080267970-A1 Sulfonamide Derivatives For The Treatment of Diseases BROWN ALAN DANIEL 2008-10-30 US disclosed
EP-1708991-B1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2007-10-17 EP disclosed
US-7244766-B2 Sulfonamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-17 US disclosed
EP-1708991-A2 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-10-11 EP disclosed
WO-2005080313-A9 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2006-08-31 WO disclosed
WO-2005080313-A2 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-09-01 WO disclosed
US-20050182091-A1 For therapy of asthma or chronic obstructive pulmonary disease (COPD) in a mammal PFIZER INC. 2005-08-18 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-20100273758-A1 Sulfonamide Derivatives For The Treatment Of Diseases SULT2A1, STS, SULT1A1 ADRB2 2148/4885NR3C1 1845/4885ADRB3 2520/4885
US-20090197912-A1 Sulfonamide Derivatives for the Treatment of Diseases SULT2A1, STS, SULT1A1 ADRB2 2148/4885NR3C1 1845/4885ADRB3 2520/4885
US-20050182091-A1 For therapy of asthma or chronic obstructive pulmonary disease (COPD) in a mammal LTC4S, LTB4R2, LTB4R ADRB2 119/4885NR3C1 144/4885ADRB3 107/4885
US-20080267970-A1 Sulfonamide Derivatives For The Treatment of Diseases SULT2A1, STS, SULT1A1 ADRB2 2148/4885NR3C1 1845/4885ADRB3 2520/4885

“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.