SCHEMBL6799409

SCHEMBL6799409

CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(N2CCC3(CC2)OCCO3)cc1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.43
MMP12 P39900 1/20 0.43
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADAMTS4 O75173 1/20 0.40
MMP3 P08254 1/20 0.40
MMP8 P22894 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7621959 0.86 MMP12 (0.56) TSHRMEN1KMT2AMAPK1LMNA
SCHEMBL6801353 0.86 MEN1 (0.50) TSHRMEN1KMT2AALDH1A1HSD17B10
SCHEMBL6795877 0.82 KMT2A (0.45) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL6799415 0.81 LMNA (0.47) TSHRMEN1KMT2AALDH1A1HSD17B10
SCHEMBL6800812 0.80 MAPT (0.49) TSHRMEN1KMT2AALDH1A1MAPK1
SCHEMBL7129353 0.79 MEN1 (0.46) TSHRMEN1KMT2AALDH1A1HSD17B10
SCHEMBL7627300 0.78 MMP2 (0.52) TSHRMEN1KMT2AALDH1A1MAPK1
SCHEMBL6801362 0.76 TP53 (0.47) TSHRMEN1KMT2AALDH1A1HSD17B10
SCHEMBL6797285 0.76 MEN1 (0.43) MEN1KMT2AALDH1A1HSD17B10MAPK1
SCHEMBL6799370 0.75 SMN1; SMN2 (0.67) TSHRKMT2AALDH1A1MAPK1LMNA

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 TSHR 94/4885MEN1 2627/4885KMT2A 1041/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 TSHR 96/4885MEN1 2724/4885KMT2A 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.