SCHEMBL4430970

SCHEMBL4430970

COc1ccc(OCC2CO2)c(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
GLA P06280 1/20 0.53
TDP1 Q9NUW8 1/20 0.44
PKM P14618 2/20 0.44
TP53 P04637 3/20 0.43
TSHR P16473 3/20 0.43
HIF1A Q16665 2/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
PPARG P37231 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD4 P21917 7/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
PTPN1 P18031 1/20 0.38

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
SCHEMBL3747577 0.81 ALDH1A1 (0.47) ALDH1A1GLATDP1PKMTP53
SCHEMBL1044045 0.79 ALDH1A1 (0.49) ALDH1A1GLATDP1PKMTP53
SCHEMBL29769262 0.79 ALDH1A1 (0.71) ALDH1A1GLATDP1PKMTP53
SCHEMBL3634571 0.79 ALDH1A1 (0.71) ALDH1A1GLATDP1PKMTP53
SCHEMBL7282918 0.79 ALDH1A1 (0.71) ALDH1A1GLATDP1PKMTP53
SCHEMBL93244 0.79 ALDH1A1 (0.71) ALDH1A1GLATDP1PKMTP53
SCHEMBL5517102 0.78 ALDH1A1 (0.60) ALDH1A1GLATDP1PKMTP53
SCHEMBL4441016 0.78 PKM (0.50) ALDH1A1GLATDP1PKMTP53
SCHEMBL1044489 0.78 ALDH1A1 (0.44) ALDH1A1GLATDP1PKMTP53
SCHEMBL7966930 0.77 ALDH1A1 (0.54) ALDH1A1GLATDP1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207174-B2 Beta-3 adrenergic receptor agonists; urinary tract infections, incontinence, gastrointestinal disorders, dysmenorrhea, obesity; tocolytic, anxiolytic, antidiabetic agents; antidepressants; 4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenol 4SC AG (DE) 2012-06-26 US disclosed
EP-2118086-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEREOF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS 4SC AG (DE) 2009-11-18 EP disclosed
US-20080249114-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEROF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS SCHWARZ PHARMA AG (DE) 2008-10-09 US disclosed
WO-2008090140-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEREOF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS 4SC AG (DE) 2008-07-31 WO 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-20080249114-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEROF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS ADRB3, ADRB1, ADRB2 ALDH1A1 1070/4885GLA 2607/4885TDP1 3799/4885

“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.