SCHEMBL1939616

SCHEMBL1939616

CCCS(=O)(=O)c1cc(-c2ccc(CCNCC(O)c3ccccc3)cc2)ccc1C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.76
ADRB1 P08588 7/20 0.64
ADRB2 P07550 1/20 0.64

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
SCHEMBL1939715 0.93 ADRB3 (0.80) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL4585222 0.92 ADRB3 (0.79) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL4585227 0.92 ADRB3 (0.79) ADRB3ADRB1ADRB2
SCHEMBL1940238 0.88 ADRB3 (0.81) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL4586447 0.87 ADRB3 (0.80) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL4586449 0.87 ADRB3 (0.80) ADRB3ADRB1ADRB2
SCHEMBL1939614 0.86 ADRB3 (1.00) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL4467680 0.85 ADRB3 (0.98) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL4478546 0.82 ADRB3 (0.78) ADRB3ADRB1ADRB2
SCHEMBL5703962 0.81 ADRB3 (0.80) ADRB3ADRB1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074086-B1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2011-06-15 EP disclosed
US-20100240653-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2010-09-23 US disclosed
EP-2074086-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-07-01 EP disclosed
WO-2008048609-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-04-24 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 (1 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-20100240653-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HRH3, HRH4, HRH1 ADRB3 158/4885ADRB1 185/4885ADRB2 167/4885

“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.