SCHEMBL7094586

SCHEMBL7094586

Cc1ccc(S(=O)(=O)N2CCC(Nc3ccc(CCN)cc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.64
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
CA4 P22748 2/20 0.64
CA5A P35218 2/20 0.64
CA7 P43166 2/20 0.64
CA9 Q16790 2/20 0.64
CA13 Q8N1Q1 2/20 0.64
CA14 Q9ULX7 2/20 0.64
ALDH1A1 P00352 2/20 0.53
CCR6 P51684 3/20 0.53
LMNA P02545 3/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PKM P14618 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL7091415 0.86 KMT2A (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL7095290 0.85 KMT2A (0.64) CA12CA1CA2CA4CA5A
SCHEMBL16311216 0.77 ALDH1A1 (0.58) CA12CA1CA2CA4CA5A
Formic Acid SCHEMBL7091575 0.77 GHSR (0.62) CA12CA1CA2CA9
SCHEMBL7092876 0.76 KMT2A (0.66) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL14095878 0.76 EBP (0.56) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL16110256 0.75 CCR6 (0.74) ALDH1A1CCR6LMNAMEN1KMT2A
SCHEMBL7095496 0.75 EPHX2 (0.47) CA12CA1CA2CA4CA5A
SCHEMBL7091882 0.75 KMT2A (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL14086755 0.75 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2

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
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-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

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 CA12 4814/4885CA1 4874/4885CA2 2958/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 CA12 4838/4885CA1 4850/4885CA2 3038/4885

“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.