SCHEMBL353770

SCHEMBL353770

CC(C)(C)NCCC(Cc1ccccc1)S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 4/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
BLM P54132 1/20 0.37
GFER P55789 1/20 0.37
PMP22 Q01453 1/20 0.37
MMP1 P03956 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
SCHEMBL353956 0.78 CYP2C19 (0.41) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL23654696 0.77 CYP1A2 (0.50) CTRB1
SCHEMBL11498472 0.75 MMP1 (0.47) MMP1MMP13
SCHEMBL353773 0.74 ALPI (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL6720484 0.74 TRPA1 (0.47) CTRB1MEN1KMT2ANPC1RAB9A
SCHEMBL14937382 0.73 CSNK1E (0.54) MMP1
SCHEMBL6009454 0.72 ALDH1A1 (0.50) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL27683551 0.71 ALPI (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL21962906 0.70 MMP1 (0.49) CTRB1MEN1KMT2ANPC1RAB9A
SCHEMBL16594694 0.70 TSHR (0.40) CTRB1ALDH1A1MEN1KMT2ARAB9A

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 13 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-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
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-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 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-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 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-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 US disclosed
CN-101128421-A Methods and compositions for treating amyloid-related diseases NEUROCHEM INTERNAT LTD (CH) 2008-02-20 CN 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 CTRB1 88/4885MAPT 12/4885ALDH1A1 2230/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 CTRB1 55/4885MAPT 14/4885ALDH1A1 2989/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 CTRB1 44/4885MAPT 13/4885ALDH1A1 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.