SCHEMBL6480038

SCHEMBL6480038

O=C(O)COc1cccc(NCC(O)COc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
HTT P42858 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
ADRB1 P08588 4/20 0.60
ADRB3 P13945 4/20 0.60
ADRB2 P07550 2/20 0.60
CYP1A2 P05177 1/20 0.60
MAPK1 P28482 1/20 0.55
ALOX15 P16050 1/20 0.51
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PTPN7 P35236 1/20 0.50
KMT2A Q03164 1/20 0.50
PTPN12 Q05209 1/20 0.50
FFAR1 O14842 1/20 0.48
CYP2D6 P10635 1/20 0.48
ABCB1 P08183 2/20 0.47
PKM P14618 1/20 0.47
DPP4 P27487 1/20 0.47

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
SCHEMBL11448213 0.82 MAPT (0.93) MAPTHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL10889271 0.81 MAPT (0.77) MAPTHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL1116411 0.76 MAPK1 (0.61) MAPTHTTSMN1; SMN2MAPK1ALOX15
SCHEMBL6818065 0.75 ADRB1 (1.00) ADRB1ADRB3ADRB2CYP1A2ALOX15
SCHEMBL12648565 0.75 ADRB1 (1.00) ADRB1ADRB3ADRB2CYP1A2ALOX15
SCHEMBL17086818 0.75 ADRB1 (1.00) ADRB1ADRB3ADRB2CYP1A2ALOX15
Hydrochloric Acid SCHEMBL2342247 0.74 ADRB1 (0.97) ADRB1ADRB3ADRB2CYP1A2ALOX15
Hydrochloric Acid SCHEMBL2342254 0.74 ADRB1 (0.97) ADRB1ADRB3ADRB2CYP1A2ALOX15
SCHEMBL13736891 0.74 MAPT (0.68) MAPTHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL7801099 0.74 MAPK1 (0.58) MAPTHTTSMN1; SMN2MAPK1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890955-B2 Aryloxypropanolamine derivatives, method of preparation and applications thereof VIRBAC SA (FR) 2005-05-10 US disclosed
US-20030158259-A1 Aryloxypropanolamine derivatives, method of preparation and applications thereof VIRBAC SA 2003-08-21 US disclosed
US-20020019440-A1 Aryloxypropanolamine derivatives, method of preparation and applications thereof VIRBAC SA 2002-02-14 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 (2 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-20020019440-A1 Aryloxypropanolamine derivatives, method of preparation and applications thereof FABP4, CCNO, PAOX MAPT 4771/4885HTT 2184/4885SMN1; SMN2 4000/4885
US-20030158259-A1 Aryloxypropanolamine derivatives, method of preparation and applications thereof PAOX, ACOX3, FABP4 MAPT 4830/4885HTT 2390/4885SMN1; SMN2 4009/4885

“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.