SCHEMBL6861392

SCHEMBL6861392

COC(=O)C(C)(C)Nc1ccc(CCOC(O)Cc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.39
PTPN2 P17706 2/20 0.39
PTPN1 P18031 2/20 0.39
PTPRB P23467 2/20 0.39
PTPRA P18433 1/20 0.39
PTPRC P08575 1/20 0.38
PTPRG P23470 1/20 0.38
ACP1 P24666 1/20 0.38
PPARA Q07869 5/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.35
CYP24A1 Q07973 1/20 0.35
PPARG P37231 3/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL6743375 0.78 PTPRB (0.43) PTPN2PTPN1PTPRBPTPRAPTPRC
SCHEMBL4285383 0.76 TRPA1 (0.43) PPARAFFAR1PPARG
SCHEMBL7022751 0.74 CYP4A11 (0.51) PTPN2PTPN1PTPRBPTPRAPTPRC
SCHEMBL9756879 0.73 MAPT (0.59) PTPN2PTPN1PTPRBPTPRAMAPT
SCHEMBL6741713 0.73 KMT2A (0.41) PTPN2PTPN1PTPRBPTPRAPTPRC
SCHEMBL11063035 0.72 SAE1 (0.47) PTPN2PTPN1PTPRBPTPRAMAPT
SCHEMBL5955245 0.71 RAB9A (0.62) MAPTKMT2A
SCHEMBL9477831 0.68 LDHA (0.50) FFAR1MAPT
SCHEMBL22618771 0.67 ALDH1A1 (0.46) PTPN1PTPRCKMT2A
SCHEMBL7169399 0.67 TDP1 (0.51) MAPTKMT2A

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 2 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
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

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 CTRB1 2069/4885PTPN2 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.