SCHEMBL6795877

SCHEMBL6795877

CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(N2CCC(=O)CC2)cc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MMP3 P08254 2/20 0.43
MMP8 P22894 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MMP12 P39900 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MMP13 P45452 2/20 0.42
MMP9 P14780 2/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP7 P09237 1/20 0.42
PTPN11 Q06124 1/20 0.42
PKM P14618 1/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7626198 0.85 MMP2 (0.56) MMP3MMP8MMP12MMP13MMP9
SCHEMBL6799810 0.85 MEN1 (0.49) KMT2AMEN1LMNASMN1; SMN2MMP3
SCHEMBL6799409 0.82 TSHR (0.48) KMT2AMEN1LMNASMN1; SMN2MMP3
SCHEMBL6074325 0.80 LMNA (0.52) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL6795881 0.79 MMP12 (0.43) SMN1; SMN2MMP3MMP12ALDH1A1MMP13
SCHEMBL6802631 0.78 ALDH1A1 (0.62) KMT2AMEN1LMNASMN1; SMN2POLB
SCHEMBL6799368 0.78 NPSR1 (0.54) KMT2ALMNASMN1; SMN2MMP3MMP8
SCHEMBL6800548 0.77 MMP2 (0.63) MMP3MMP8MMP13MMP9MMP1
SCHEMBL6801083 0.77 MMP2 (0.63) MMP3MMP8MMP13MMP9MMP1
SCHEMBL6806989 0.76 PLAU (0.47) KMT2AMEN1LMNASMN1; SMN2ALDH1A1

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 4 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-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 KMT2A 1041/4885MEN1 2627/4885LMNA 1552/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 KMT2A 906/4885MEN1 2724/4885LMNA 1464/4885

“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.