SCHEMBL6741713

SCHEMBL6741713

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PTPRB P23467 4/20 0.38
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
PTPN2 P17706 2/20 0.36
PTPN1 P18031 2/20 0.36
PTPRA P18433 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
PTPRC P08575 1/20 0.36
PTPRG P23470 1/20 0.36
ACP1 P24666 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FPR2 P25090 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
F2RL1 P55085 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
SCHEMBL7022751 0.86 CYP4A11 (0.51) PTPRBNPC1HPGDRAB9APTPN2
SCHEMBL11063035 0.83 SAE1 (0.47) KMT2AMEN1PTPRBNPC1HPGD
SCHEMBL27796483 0.78 BRS3 (0.53) KMT2AMEN1NPC1RAB9APTPN1
SCHEMBL8879088 0.78 MEN1 (0.44) KMT2AMEN1PTPRBPTPN2PTPN1
SCHEMBL19707373 0.76 RAB9A (0.53) KMT2AMEN1NPC1HPGDRAB9A
SCHEMBL19707314 0.75 POLB (0.54) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11333348 0.75 ELANE (0.48) NPC1HPGDRAB9AMAPTLMNA
SCHEMBL9756879 0.74 MAPT (0.59) PTPRBPTPN2PTPN1PTPRAMAPT
SCHEMBL6743375 0.74 PTPRB (0.43) KMT2AMEN1PTPRBNPC1RAB9A
SCHEMBL6861392 0.73 CTRB1 (0.39) KMT2APTPRBPTPN2PTPN1PTPRA

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 KMT2A 1886/4885MEN1 3243/4885PTPRB 3250/4885

“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.