SCHEMBL6802799

SCHEMBL6802799

COc1ccc(NS(=O)(=O)c2ccc(N3CCC(=O)CC3)cc2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
HTT P42858 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 4/20 0.56
MAPT P10636 2/20 0.56
MAPK1 P28482 2/20 0.56
ALOX15 P16050 2/20 0.56
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HTR6 P50406 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR1A P08908 1/20 0.51
CYP2D6 P10635 1/20 0.51
DRD2 P14416 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2A P28223 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
SCHEMBL6073585 0.93 ALDH1A1 (0.62) LMNAHTTSMN1; SMN2KMT2AALDH1A1
SCHEMBL6074493 0.84 KMT2A (0.75) LMNAHTTSMN1; SMN2KMT2AALDH1A1
SCHEMBL2304631 0.79 LMNA (0.59) LMNAHTTSMN1; SMN2KMT2AALDH1A1
SCHEMBL6074563 0.79 SMN1; SMN2 (0.59) LMNASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL6074296 0.78 MAPT (0.61) LMNASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL3544939 0.77 LMNA (0.51) LMNAKMT2AALDH1A1MEN1HTR7
SCHEMBL28751618 0.77 ALDH1A1 (0.56) LMNASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL6074068 0.77 CES1 (0.61) LMNASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL30532978 0.76 LMNA (0.79) LMNAHTTSMN1; SMN2KMT2AALDH1A1
SCHEMBL29048773 0.76 LMNA (0.79) LMNAHTTSMN1; SMN2KMT2AALDH1A1

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 LMNA 1552/4885HTT 388/4885SMN1; SMN2 2820/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 LMNA 1464/4885HTT 464/4885SMN1; SMN2 2852/4885

“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.