SCHEMBL7091408

SCHEMBL7091408

Cc1ccsc1C(=O)N1CCC(S(=O)(=O)c2ccc(CCNCC(O)COc3ccc(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 17/20 0.42
ADRB3 P13945 17/20 0.42
ADRB2 P07550 8/20 0.42
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 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
SCHEMBL7235449 1.00 ADRB1 (0.42) ADRB1ADRB3ADRB2LMNAALDH1A1
SCHEMBL7630332 0.94 ADRB1 (0.41) ADRB1ADRB3ADRB2
SCHEMBL7700766 0.89 ADRB1 (0.48) ADRB1ADRB3ADRB2CA12CA1
SCHEMBL7091738 0.89 ADRB1 (0.48) ADRB1ADRB3ADRB2CA12CA1
SCHEMBL7096019 0.89 ADRB3 (0.54) ADRB1ADRB3ADRB2
SCHEMBL7695357 0.89 ADRB3 (0.54) ADRB1ADRB3ADRB2
SCHEMBL7094534 0.88 ADRB1 (0.41) ADRB1ADRB3ADRB2
SCHEMBL7241879 0.88 ADRB1 (0.41) ADRB1ADRB3ADRB2
SCHEMBL7242297 0.86 ADRB3 (0.45) ADRB1ADRB3ADRB2
SCHEMBL7092790 0.83 ADRB3 (0.58) ADRB1ADRB3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 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 (2 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ADRB1 2/4885ADRB3 3/4885ADRB2 1/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB1 1/4885ADRB3 2/4885ADRB2 3/4885

“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.