SCHEMBL6804715

SCHEMBL6804715

CC#CCC(CC#CC)(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(N2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.36
MMP13 P45452 5/20 0.35
ADAM17 P78536 5/20 0.35
MMP2 P08253 2/20 0.35
MMP14 P50281 1/20 0.35
LGMN Q99538 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
USP2 O75604 1/20 0.34
ESR1 P03372 1/20 0.33
POLB P06746 1/20 0.33
ESR2 Q92731 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6800697 0.83 GPR119 (0.39) GPR119MMP13ADAM17MMP2MMP14
SCHEMBL6930067 0.74 MMP13 (0.50) MMP13ADAM17ALDH1A1SMN1; SMN2
SCHEMBL17893809 0.70 LMNA (0.63) MMP13MMP2LGMNKDM4EMAPK1
SCHEMBL10473148 0.68 KMT2A (0.50) LGMNKMT2AKDM4EALDH1A1USP2
SCHEMBL10394428 0.68 AKR1C3 (0.54) GPR119LGMNKDM4EALDH1A1POLB
SCHEMBL7628034 0.67 MMP13 (0.36) MMP13ADAM17MMP2ALDH1A1SMN1; SMN2
SCHEMBL6799424 0.66 SMN1; SMN2 (0.48) MEN1KMT2AMAPK1ALDH1A1LMNA
SCHEMBL6801306 0.66 KDM4E (0.55) LGMNKDM4EALDH1A1LMNAPOLB
SCHEMBL6797289 0.65 KMT2A (0.47) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL6797339 0.65 KDM4E (0.51) MMP13MMP2MMP14MEN1KMT2A

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 GPR119 4/4885MMP13 4574/4885ADAM17 4843/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 GPR119 4/4885MMP13 4520/4885ADAM17 4838/4885

“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.