SCHEMBL6799277

SCHEMBL6799277

O=S(=O)(NCC1CC1)c1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.69
CNR1 P21554 2/20 0.66
CNR2 P34972 2/20 0.66
NPC1 O15118 1/20 0.61
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 4/20 0.56
CYP2C9 P11712 1/20 0.56
PKM P14618 2/20 0.56
PARG Q86W56 1/20 0.55
CYP19A1 P11511 1/20 0.54
HTR1A P08908 2/20 0.54
DRD2 P14416 2/20 0.54
HTR7 P34969 2/20 0.54
HTR6 P50406 2/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53

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
SCHEMBL14606690 0.92 GBA1 (0.59) GBA1CNR1CNR2NPC1KMT2A
SCHEMBL1594065 0.92 GBA1 (0.59) GBA1CNR1CNR2NPC1KMT2A
SCHEMBL9832352 0.89 CNR1 (0.55) GBA1CNR1CNR2NPC1KMT2A
SCHEMBL9832626 0.86 CNR2 (0.53) GBA1CNR1CNR2NPC1KMT2A
SCHEMBL13797008 0.86 NPC1 (0.56) GBA1CNR1CNR2NPC1KMT2A
SCHEMBL9833087 0.83 CNR1 (0.50) GBA1CNR1CNR2NPC1KMT2A
SCHEMBL18446034 0.83 HTR1A (0.54) GBA1CNR1CNR2NPC1KMT2A
SCHEMBL1594118 0.83 CNR1 (0.50) GBA1CNR1CNR2NPC1KMT2A
SCHEMBL2376303 0.82 GBA1 (0.69) GBA1CNR1CNR2KMT2AMEN1
SCHEMBL3012277 0.82 GBA1 (0.69) GBA1CNR1CNR2KMT2AMEN1

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-6743787-B2 FOR THERAPY OF METABOLIC DISORDERS MEDIATED BY INSULIN RESISTANCE OR HYPERGLYCEMIA IN A MAMMAL WYETH 2004-06-01 US disclosed
US-20030027795-A1 N-(4-sulfonylaryl)cyclylamine-2-hydroxyethylamines as beta-3 adrenergic receptor agonists WYETH 2003-02-06 US disclosed
US-6444685-B1 THERAPY FOR METABOLISM DISEASES; DIETETICS; ANTIDIABETIC AGENTS WYETH 2002-09-03 US disclosed
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION 2002-03-07 US disclosed
WO-2002006274-A1 N-(4-SULFONYLARYL)CYCLYLAMINE-2-HYDROXYETHYLAMINES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 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 (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-20030027795-A1 N-(4-sulfonylaryl)cyclylamine-2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 GBA1 693/4885CNR1 24/4885CNR2 60/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 GBA1 671/4885CNR1 18/4885CNR2 42/4885

“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.