SCHEMBL6799819

SCHEMBL6799819

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MMP2 P08253 8/20 0.44
MMP9 P14780 6/20 0.44
MMP3 P08254 4/20 0.44
MMP13 P45452 3/20 0.44
MMP1 P03956 1/20 0.44
MMP7 P09237 1/20 0.44
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
MMP8 P22894 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MMP12 P39900 2/20 0.41
MMP14 P50281 2/20 0.41
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
AIMP2 Q13155 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL7621166 0.88 MMP3 (0.57) SMN1; SMN2TDP1MMP2MMP9MMP3
SCHEMBL6801362 0.83 TP53 (0.47) SMN1; SMN2TDP1MMP2MMP9MMP3
SCHEMBL6795881 0.83 MMP12 (0.43) SMN1; SMN2TDP1MMP2MMP9MMP3
SCHEMBL6799810 0.78 MEN1 (0.49) SMN1; SMN2MMP2MMP9MMP3MMP13
SCHEMBL7626198 0.78 MMP2 (0.56) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6799368 0.75 NPSR1 (0.54) SMN1; SMN2MMP3MMP8ALDH1A1PKM
SCHEMBL6795523 0.74 MMP3 (0.44) SMN1; SMN2TDP1MMP2MMP9MMP3
SCHEMBL6802427 0.74 ADRB3 (0.68)
SCHEMBL6795877 0.73 KMT2A (0.45) SMN1; SMN2TDP1MMP2MMP9MMP3
SCHEMBL9727383 0.73 MMP2 (0.59) MMP2MMP3MMP13MMP1ITGB3

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 SMN1; SMN2 2820/4885TDP1 4151/4885MMP2 4466/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 SMN1; SMN2 2852/4885TDP1 3915/4885MMP2 4374/4885

“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.