SCHEMBL354130

SCHEMBL354130

CCC(CNCCCS(=O)(=O)O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM1A O60341 7/20 0.40
CCR5 P51681 1/20 0.40
MAOB P27338 4/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NAAA Q02083 2/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL917841 0.83 GRIN1 (0.66) GRIN1GRIN2AALDH1A1SMN1; SMN2KDM1A
SCHEMBL9132268 0.82 GRIN1 (0.64) GRIN1GRIN2AALDH1A1SMN1; SMN2KDM1A
SCHEMBL10277987 0.81 KDM4E (0.58) GRIN1GRIN2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL10230682 0.81 KDM4E (0.58) GRIN1GRIN2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL10232539 0.81 KDM4E (0.58) GRIN1GRIN2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL8446901 0.79 GRIN1 (0.49) GRIN1GRIN2AKDM1AMAOB
SCHEMBL7194207 0.77 CCR5 (0.47) ALDH1A1SMN1; SMN2CCR5MEN1KMT2A
SCHEMBL353673 0.77 EPHX2 (0.44) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL353339 0.77 EPHX2 (0.44) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14099965 0.76 CYP3A4 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E

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-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 US disclosed
US-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 US disclosed
US-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-10-05 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 (3 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-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity APP, IAPP, BACE1 GRIN1 602/4885GRIN2A 1017/4885ALDH1A1 2230/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 GRIN1 2196/4885GRIN2A 1579/4885ALDH1A1 2989/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 GRIN1 2387/4885GRIN2A 1892/4885ALDH1A1 3131/4885

“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.