SCHEMBL10232137

SCHEMBL10232137

Cc1ccc(CCC(C)(C)NCCCS(=O)(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
S1PR1 P21453 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CASR P41180 1/20 0.34
CHRM2 P08172 1/20 0.34
GRIA4 P48058 1/20 0.34

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
SCHEMBL354792 0.86 HPGD (0.38) NPC1RAB9ASMN1; SMN2ADRB2ADRB1
SCHEMBL10278013 0.85 CASR (0.50) SMN1; SMN2ADRB2ADRB1ALDH1A1S1PR1
SCHEMBL23654223 0.77 ALDH1A1 (0.48) NPC1ALDH1A1KMT2AMEN1S1PR1
SCHEMBL9051355 0.75 IGF1R (0.50) NPC1ALDH1A1KMT2AMEN1S1PR1
SCHEMBL10232031 0.74 ESR1 (0.43) ADRB2ADRB1KMT2AMEN1
SCHEMBL9053057 0.74 S1PR2 (0.51) NPC1ALDH1A1KMT2AMEN1S1PR1
SCHEMBL10278340 0.73 SLC6A2 (0.40) SMN1; SMN2ADRB2ADRB1KMT2AMEN1
SCHEMBL6010000 0.73 CASR (0.42) SMN1; SMN2ADRB2ADRB1ALDH1A1KMT2A
SCHEMBL10278318 0.73 GHSR (0.37) ADRB2ADRB1CASR
SCHEMBL10278319 0.73 GRIA4 (0.43) ADRB2ADRB1CA1CA2GRIA4

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 NPC1 52/4885RAB9A 2815/4885SMN1; SMN2 58/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 NPC1 85/4885RAB9A 3030/4885SMN1; SMN2 77/4885

“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.