SCHEMBL7092154

SCHEMBL7092154

Cc1ccc(S(=O)(=O)C(C)Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.52
CA2 P00918 6/20 0.48
CA1 P00915 5/20 0.48
CA9 Q16790 4/20 0.48
CA12 O43570 3/20 0.48
CA7 P43166 2/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
TLR9 Q9NR96 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 5/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL1149214 0.81 GAA (0.56) GAACA2CA1CA9CA12
SCHEMBL178444 0.81 GAA (0.56) GAACA2CA1CA9CA12
SCHEMBL30896660 0.81 GAA (0.56) GAACA2CA1CA9CA12
SCHEMBL680246 0.80 GAA (0.50) GAACA2CA1CA9CA12
SCHEMBL3882539 0.80 GAA (0.50) GAACA2CA1CA9CA12
SCHEMBL8951866 0.80 TSHR (0.50) GAACA2CA1CA9CA12
SCHEMBL10765318 0.79 GAA (0.45) GAACA2CA1CA9CA12
SCHEMBL9385444 0.79 GAA (0.54) GAACA2CA1CA9CA12
SCHEMBL4836032 0.79 HSD17B10 (0.48) CA2CA1CA9CA12CA7
SCHEMBL26343853 0.78 GAA (0.59) GAACA2CA1CA9CA12

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 10 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-6537994-B2 For therapy and prophylaxis of metabolic disorders related to insulin resistance or hyperglycemia, atherosclerosis, gastrointestinal disorders, neurogenetic inflammation, glaucoma, ocular hypertension and frequent urination WYETH 2003-03-25 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US disclosed
US-20020022638-A1 Heterocyclic Beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-21 US disclosed
WO-2002006235-A1 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed
WO-1997042143-A1 PROCESS FOR THE PREPARATION OF A SPIRO[2.4]-HEPTA-4,6-DIENE DSM N.V. (NL) 1997-11-13 WO disclosed
WO-1997042144-A1 PROCESS FOR THE ALKYLATION OF A CYCLOPENTADIENE DSM N.V. (NL) 1997-11-13 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 (3 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 GAA 1359/4885CA2 2958/4885CA1 4874/4885
US-20020022638-A1 Heterocyclic Beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 GAA 1661/4885CA2 2637/4885CA1 4855/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 GAA 1432/4885CA2 3038/4885CA1 4850/4885

“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.