SCHEMBL5218009

SCHEMBL5218009

CCCN(c1cc(C(=O)O)cc(N2CCCC2=O)c1)S(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.52
ALDH1A1 P00352 7/20 0.46
CYP1A2 P05177 2/20 0.46
HPGD P15428 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 4/20 0.43
GFER P55789 3/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CTSD P07339 1/20 0.39
BACE1 P56817 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
SCHEMBL5222390 0.82 ALDH1A1 (0.51) TP53ALDH1A1CYP1A2HPGDCYP3A4
SCHEMBL5222088 0.82 ALDH1A1 (0.48) TP53ALDH1A1CYP1A2HPGDCYP3A4
SCHEMBL5220241 0.80 TSHR (0.53) TP53ALDH1A1CYP1A2HPGDCYP3A4
SCHEMBL5218641 0.79 ALDH1A1 (0.52) TP53ALDH1A1CYP1A2HPGDCYP3A4
SCHEMBL5928345 0.79 CTSD (0.53) TP53ALDH1A1CYP1A2HPGDCYP3A4
SCHEMBL5217817 0.78 ALDH1A1 (0.57) ALDH1A1CYP1A2HPGDCYP3A4CYP2D6
SCHEMBL5388882 0.78 TSHR (0.52) TP53ALDH1A1CYP1A2HPGDCYP3A4
SCHEMBL5217702 0.78 ALDH1A1 (0.51) TP53ALDH1A1CYP1A2HPGDCYP3A4
SCHEMBL3862261 0.77 ALDH1A1 (0.50) TP53ALDH1A1CYP1A2HPGDCYP3A4
SCHEMBL5217979 0.76 ALDH1A1 (0.49) TP53ALDH1A1CYP1A2HPGDCYP3A4

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-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 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 (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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 TP53 3868/4885ALDH1A1 3102/4885CYP1A2 2757/4885

“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.