SCHEMBL7094939

SCHEMBL7094939

CS(=O)(=O)Nc1cccc(OCc2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.71
NPC1 O15118 1/20 0.71
HPGD P15428 1/20 0.71
RAB9A P51151 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
DRD2 P14416 1/20 0.68
DRD4 P21917 1/20 0.68
DRD3 P35462 1/20 0.68
LMNA P02545 1/20 0.56
NR3C1 P04150 1/20 0.55
MAOB P27338 5/20 0.54
CTSV O60911 1/20 0.53
CTSL P07711 1/20 0.53
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
KEAP1 Q14145 1/20 0.51
BCHE P06276 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.51

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
SCHEMBL25366392 0.84 KMT2A (0.76) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL30873024 0.84 LMNA (0.55) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL27182778 0.84 LMNA (0.55) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL7096964 0.83 AR (1.00) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8050414 0.83 AR (0.68) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8752429 0.81 AR (0.75) ARHPGDSMN1; SMN2LMNAPGR
SCHEMBL5403293 0.81 GPR132 (0.56) DRD2DRD4DRD3
SCHEMBL5827466 0.81 GPR132 (0.51) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL25369414 0.80 NR1H4 (0.69) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL5188394 0.80 APP (0.74) RAB9ALMNAMAOBCTSVCTSL

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 5 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
WO-1998037056-A1 PHENOXYPROPANOLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1998-08-27 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 (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 AR 471/4885NPC1 1172/4885HPGD 825/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 AR 438/4885NPC1 985/4885HPGD 947/4885

“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.