SCHEMBL5217329

SCHEMBL5217329

CCn1cnc2c(N(S(=O)(=O)CCCCl)S(=O)(=O)CCCCl)cc(C(=O)OC)cc21

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 3/20 0.34
KDM4E B2RXH2 3/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.31
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
GAA P10253 1/20 0.30
NPY1R P25929 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL5219029 0.82 KDM5A (0.33) KDM4ECYP1A2TSHRCYP2C19SMN1; SMN2
SCHEMBL5221268 0.80 PTGER3 (0.35) KDM4ECYP1A2TSHRCYP2C19SMN1; SMN2
SCHEMBL5219842 0.75 KDM4E (0.40) YTHDC1KDM4ESMN1; SMN2ALDH1A1POLB
SCHEMBL309368 0.74 KDM4E (0.41) YTHDC1KDM4ECYP1A2TSHRCYP2C19
SCHEMBL5221511 0.74 ALDH1A1 (0.39) YTHDC1KDM4ECYP1A2TSHRCYP2C19
SCHEMBL5220005 0.71 TP53 (0.30)
SCHEMBL5451802 0.69 KMT2A (0.31) KDM4ESMN1; SMN2ALDH1A1HTTGAA
SCHEMBL5218276 0.69 KDM4E (0.52) KDM4ESMN1; SMN2ALDH1A1POLBHTT
SCHEMBL5223548 0.68
SCHEMBL5224339 0.68

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-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
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 YTHDC1 3539/4885KDM4E 1129/4885CYP1A2 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.