SCHEMBL6743375

SCHEMBL6743375

COC(=O)C(C)(C)Nc1ccc(CCOCOCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 4/20 0.43
PTPN2 P17706 3/20 0.39
PTPN1 P18031 3/20 0.39
PTPRA P18433 1/20 0.39
ACP1 P24666 2/20 0.39
PTPRC P08575 1/20 0.39
PTPRG P23470 1/20 0.39
PPARA Q07869 7/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36

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
SCHEMBL6861392 0.78 CTRB1 (0.39) PTPRBPTPN2PTPN1PTPRAACP1
SCHEMBL5955245 0.77 RAB9A (0.62) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6744110 0.76 PPARA (0.43) PPARANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7022751 0.75 CYP4A11 (0.51) PTPRBPTPN2PTPN1PTPRAACP1
SCHEMBL9756879 0.74 MAPT (0.59) PTPRBPTPN2PTPN1PTPRASMN1; SMN2
SCHEMBL6741713 0.74 KMT2A (0.41) PTPRBPTPN2PTPN1PTPRAACP1
SCHEMBL15043136 0.74 MEN1 (0.40) PTPRBPPARAL3MBTL1SMN1; SMN2MEN1
SCHEMBL22618771 0.73 ALDH1A1 (0.46) PTPN1PTPRCTDP1L3MBTL1NPC1
SCHEMBL11063035 0.73 SAE1 (0.47) PTPRBPTPN2PTPN1PTPRANPC1
Acetic Acid Methyl Ester SCHEMBL28085684 0.72 ALDH1A1 (0.55) TDP1L3MBTL1SMN1; SMN2

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-6790865-B2 2-HYDROXY-2-(4-HYDROXYPHENYL)-1-METHYLETHYL)AMINO)ETHYL)PHENOXY OR IMINO)-2-METHYLPROPIONIC ACID DERIVATIVE EXCELLENT BETA 3-ADRENOCEPTOR STIMULANTS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-09-14 US disclosed
EP-1072583-B1 2-METHYLPROPIONIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-09-01 EP disclosed
US-6696489-B1 PHENOLIC AND PHENYLAMINO SUBSTITUENTS; BETA 3-ADRENOCEPTOR AGONISTS; OBESITY, HYPERGLYCEMIA, INTESTINAL HYPERMOTILITY, POLLAKIURIA, URINARY INCONTINENCE, DEPRESSION KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-02-24 US disclosed
US-20030166719-A1 2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl)amino)ethyl)phenoxy or imino)-2-methylpropionic acid derivative excellent beta 3-adrenoceptor stimulants KISSEI PHARMACEUTICAL CO., LTD. 2003-09-04 US disclosed
EP-1072583-A1 2-METHYLPROPIONIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-01-31 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 (1 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-20030166719-A1 2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl)amino)ethyl)phenoxy or imino)-2-methylpropionic acid derivative excellent beta 3-adrenoceptor stimulants ADRB1, ADRB2, ADRA2A PTPRB 3250/4885PTPN2 3517/4885PTPN1 3819/4885

“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.