SCHEMBL7044530

SCHEMBL7044530

O=S(=O)(Nc1cc(OC[C@@H](O)CN[C@H](CO)Cc2ccc(O)c(Cl)c2)ccc1O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.43
ADRB1 P08588 10/20 0.43
ADRB2 P07550 6/20 0.43
HSD17B3 P37058 1/20 0.42
HSD17B2 P37059 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7254600 0.93 ADRB3 (0.47) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL7174703 0.93 ADRB3 (0.47) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL7044134 0.92 ADRB3 (0.49) ADRB3ADRB1ADRB2
SCHEMBL7042681 0.91 ADRB3 (0.45) ADRB3ADRB1ADRB2
SCHEMBL7042717 0.89 ADRB3 (0.54) ADRB3ADRB1ADRB2ALDH1A1GAA
SCHEMBL7044400 0.89 ADRB3 (0.48) ADRB3ADRB1ADRB2
SCHEMBL7037705 0.87 ADRB3 (0.52) ADRB3ADRB1ADRB2
SCHEMBL7253430 0.86 ADRB3 (0.46) ADRB3ADRB1ADRB2HSD17B3HSD17B2
SCHEMBL7042476 0.86 ADRB3 (0.54) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL7041267 0.84 ADRB3 (0.54) ADRB3ADRB1ADRB2MEN1ALDH1A1

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-20030073846-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-04-17 US disclosed
EP-1292564-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-19 EP disclosed
WO-2001062705-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-30 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-20030073846-A1 Aminoalcohol derivatives XDH, ADH1A, ADRB1 ADRB3 20/4885ADRB1 3/4885ADRB2 4/4885

“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.