SCHEMBL352862

SCHEMBL352862

CCCN(CCCS(=O)(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.47
NR1H2 P55055 10/20 0.41
NR1H3 Q13133 10/20 0.41
KIF11 P52732 1/20 0.38
MCHR1 Q99705 1/20 0.38
AR P10275 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NR1I2 O75469 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MLYCD O95822 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
SCHEMBL5503259 0.90 NR1H2 (0.42) RORCNR1H2NR1H3KIF11MCHR1
SCHEMBL353210 0.84 CNR2 (0.44) MEN1KMT2AMAPK1TDP1
SCHEMBL5073885 0.82 RORC (0.47) RORCNR1H2NR1H3KIF11MCHR1
SCHEMBL355489 0.81 CNR2 (0.44) MEN1KMT2ATDP1
SCHEMBL19503409 0.79 NR1H2 (0.46) RORCNR1H2NR1H3ARMEN1
SCHEMBL352863 0.79 KIF11 (0.39) NR1H2KIF11MCHR1MLYCD
SCHEMBL356422 0.79 CNR2 (0.46) MAPK1
SCHEMBL7755356 0.78 NR1H2 (0.54) NR1H2NR1H3ARMEN1KMT2A
SCHEMBL16746560 0.78 CYP19A1 (0.40) RORCMEN1KMT2A
SCHEMBL11219468 0.76 S100B (0.51) ARCYP3A4TSHRTDP1

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 RORC 4169/4885NR1H2 1145/4885NR1H3 1383/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 RORC 2774/4885NR1H2 273/4885NR1H3 235/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 RORC 2836/4885NR1H2 284/4885NR1H3 255/4885

“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.