SCHEMBL10232117

SCHEMBL10232117

COc1cc(C)cc(CC2(NCCCS(=O)(=O)O)CCCCC2)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
THRB P10828 2/20 0.31
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.30
FKBP1A P62942 1/20 0.30
TACR1 P25103 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
SCHEMBL12226929 0.93 CYP3A4 (0.36) SLC2A1CYP3A4CYP2C19LMNANPC1
SCHEMBL10278177 0.89 PTGS2 (0.37) SLC2A1CYP3A4CYP2C19NPC1
SCHEMBL10277896 0.84 ALDH1A1 (0.39) SLC2A1THRBLMNANPC1
SCHEMBL10278097 0.83 ALDH1A1 (0.40) SLC2A1LMNA
SCHEMBL355641 0.80 ADRB2 (0.36) CYP3A4CYP2C19NPC1
SCHEMBL10278095 0.79 KMT2A (0.35) CYP3A4CYP2C19NPC1
SCHEMBL10232120 0.74 CASR (0.39) SLC2A1LMNA
SCHEMBL10277812 0.73 ADRB2 (0.36)
SCHEMBL10277808 0.73 DRD2 (0.38) CYP3A4CYP2C19
SCHEMBL10278010 0.73 ADRB2 (0.36) NPC1

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 SLC2A1 1749/4885CYP3A4 3635/4885CYP2C19 3421/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 SLC2A1 2253/4885CYP3A4 2844/4885CYP2C19 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.