SCHEMBL354038

SCHEMBL354038

CC(CNCCC(Cc1cccs1)S(=O)(=O)O)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
RAB9A P51151 6/20 0.39
CYP2C19 P33261 1/20 0.37
LMNA P02545 5/20 0.36
NPC1 O15118 4/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 1/20 0.34
CTSC P53634 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL353990 0.83 LMNA (0.39) KMT2ACYP2C19LMNAALDH1A1POLB
SCHEMBL353956 0.77 CYP2C19 (0.41) KMT2ARAB9ACYP2C19LMNANPC1
SCHEMBL5332387 0.75 LMNA (0.39) KMT2ACYP2C19LMNAALDH1A1POLB
SCHEMBL10232602 0.73 CYP2C19 (0.38) KMT2ARAB9ACYP2C19LMNANPC1
SCHEMBL354879 0.73 CYP2C19 (0.47) RAB9ACYP2C19LMNANPC1HPGD
SCHEMBL28769626 0.72 CYP2C19 (0.50) KMT2ARAB9ACYP2C19LMNANPC1
SCHEMBL20135775 0.65 TAAR1 (0.47) KMT2ARAB9ACYP2C19LMNAHPGD
SCHEMBL4348669 0.64 ALOX5 (0.46) KMT2ARAB9ALMNANPC1HPGD
Hydrochloric Acid SCHEMBL19379620 0.64 CACNA2D1 (0.45) KMT2ACYP2C19MAPTHTTGAA
SCHEMBL7534282 0.64 SMN1; SMN2 (0.38) KMT2ALMNAPOLBMEN1NPSR1

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 7 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
EP-1836161-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-26 EP 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
WO-2006085149-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-08-17 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 (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 KMT2A 4826/4885RAB9A 3228/4885CYP2C19 4141/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 KMT2A 4192/4885RAB9A 2815/4885CYP2C19 3421/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 KMT2A 4354/4885RAB9A 3030/4885CYP2C19 2502/4885

“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.