SCHEMBL4585228

SCHEMBL4585228

CC(=O)Nc1ccc(C(COS(=O)(=O)c2ccc(C)cc2)O[Si](C)(C)C(C)(C)C)cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.35
STAT3 P40763 1/20 0.34
GRIN2B Q13224 1/20 0.34
PTK2 Q05397 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
PDE4A P27815 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
PKM P14618 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 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
SCHEMBL4585225 1.00 SMN1; SMN2 (0.39) SMN1; SMN2RAB9AKDM4EALDH1A1KMT2A
SCHEMBL4585219 1.00 SMN1; SMN2 (0.39) SMN1; SMN2RAB9AKDM4EALDH1A1KMT2A
SCHEMBL6333206 0.82 MAPT (0.36) SMN1; SMN2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6333201 0.82 MAPT (0.36) SMN1; SMN2KDM4EALDH1A1KMT2AMEN1
SCHEMBL5689580 0.82 RAB9A (0.45) SMN1; SMN2RAB9AKDM4EALDH1A1KMT2A
SCHEMBL5689585 0.82 RAB9A (0.45) SMN1; SMN2RAB9AKDM4EALDH1A1KMT2A
SCHEMBL6136724 0.82 RAB9A (0.45) SMN1; SMN2RAB9AKDM4EALDH1A1KMT2A
SCHEMBL8104515 0.77 SMN1; SMN2 (0.40) SMN1; SMN2RAB9AKDM4EALDH1A1KMT2A
SCHEMBL21329582 0.71 MEN1 (0.39) ALDH1A1KMT2ASTAT3GAALMNA
SCHEMBL21329586 0.71 MEN1 (0.39) ALDH1A1KMT2ASTAT3GAALMNA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994105-B1 2-amino-pyridine intermediates for beta3-Adrenergic receptor agonists PFIZER PROD INC (US) 2005-12-14 EP claimed
US-6090942-A Process and intermediates for a β3 -adrenergic receptor agonist PFIZER INC. (US) 2000-07-18 US claimed
EP-0994105-A2 2-amino-pyridine intermediates for beta3-Adrenergic receptor agonists Pfizer Products Inc. (US) 2000-04-19 EP claimed
US-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
EP-0994105-B1 2-amino-pyridine intermediates for beta3-Adrenergic receptor agonists PFIZER PROD INC (US) 2005-12-14 EP disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 US disclosed
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC 2005-04-07 US disclosed
US-6706743-B2 β3 adrenergic receptor agonists and uses thereof PFIZER INC 2004-03-16 US disclosed
US-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-10-30 US disclosed
EP-1326861-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS Pfizer Products Inc. (US) 2003-07-16 EP disclosed
US-6566377-B2 β3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-05-20 US disclosed
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof DAY ROBERT F (US) 2002-05-02 US disclosed
WO-2002032897-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2002-04-25 WO disclosed
US-6124457-A Process and intermediates for a β3 -adrenergic receptor agonist PFIZER INC. (US) 2000-09-26 US disclosed
US-6090942-A Process and intermediates for a β3 -adrenergic receptor agonist PFIZER INC. (US) 2000-07-18 US disclosed
JP-2000128864-A PREPARATION FOR BETA 3 ADRENERGIC RECEPTOR AGONIST AND INTERMEDIATE PFIZER PROD INC 2000-05-09 JP disclosed
EP-0994105-A2 2-amino-pyridine intermediates for beta3-Adrenergic receptor agonists Pfizer Products Inc. (US) 2000-04-19 EP 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 (4 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-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 SMN1; SMN2 2178/4885RAB9A 1113/4885KDM4E 3213/4885
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 SMN1; SMN2 2100/4885RAB9A 891/4885KDM4E 3070/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 SMN1; SMN2 3271/4885RAB9A 1019/4885KDM4E 3754/4885
US-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 SMN1; SMN2 1367/4885RAB9A 849/4885KDM4E 1697/4885

“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.