SCHEMBL6744110

SCHEMBL6744110

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SPHK1 Q9NYA1 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MLYCD O95822 1/20 0.41
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
RECQL P46063 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL3818042 0.76 LTA4H (0.65) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6743375 0.76 PTPRB (0.43) PPARARAB9ANPC1MEN1KMT2A
SCHEMBL7219739 0.74 KMT2A (0.65) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL26491074 0.72 CA12 (0.43) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL6747082 0.72 CA12 (0.51) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL8868407 0.72 CA12 (0.51) RAB9ANPC1MEN1KMT2ATP53
Bicarbonate SCHEMBL28004703 0.71 TSHR (0.56) RAB9ANPC1KMT2ATP53HSD17B10
SCHEMBL474941 0.71 HDAC1 (0.65) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL6741970 0.70 MAOB (0.57) RAB9ANPC1SMN1; SMN2
SCHEMBL26491069 0.70 EPHX2 (0.39) RAB9ANPC1MEN1KMT2ATP53

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 PPARA 323/4885RAB9A 2172/4885NPC1 4132/4885

“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.