SCHEMBL6796954

SCHEMBL6796954

COc1ccc(N(C(=O)O)S(=O)(=O)c2ccc(N3CCC4(CC3)OCCO4)cc2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 4/20 0.41
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 2/20 0.40
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
EP300 Q09472 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL6806676 0.83 HIF1A (0.55) ALDH1A1HTTKMT2AMAPTLMNA
SCHEMBL17893758 0.75 ALDH1A1 (0.50) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL6799209 0.74 MAPT (0.52) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL10394428 0.69 AKR1C3 (0.54) ALDH1A1POLBPKM
SCHEMBL737198 0.68 POLB (0.58) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL6797289 0.68 KMT2A (0.47) ALDH1A1HTTKMT2AMEN1POLB
SCHEMBL6801072 0.68 RORC (0.47) POLBTP53
SCHEMBL1856515 0.67 MAPT (0.44) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL17893686 0.67 ALDH1A1 (0.47) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL22416274 0.67 LGMN (0.47) ALDH1A1KMT2AMEN1MAPTPOLB

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 ALDH1A1 2253/4885HTT 388/4885KMT2A 1041/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 ALDH1A1 1800/4885HTT 464/4885KMT2A 906/4885

“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.