SCHEMBL352863

SCHEMBL352863

CC(C)N(CCCS(=O)(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
FPR2 P25090 1/20 0.38
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP3 P08254 1/20 0.37
LMNA P02545 1/20 0.36
MLYCD O95822 4/20 0.35
HSD11B1 P28845 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
NR1H2 P55055 1/20 0.34
MCHR1 Q99705 1/20 0.34
MMP1 P03956 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 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
SCHEMBL353211 0.84 TAAR1 (0.40) MMP2MMP9CA1CA2
SCHEMBL355490 0.81 TAAR1 (0.47) CA1CA2LMNAHSD11B1PSEN1
SCHEMBL5503259 0.80 NR1H2 (0.42) KIF11LMNAHDAC8NR1H2MCHR1
SCHEMBL352862 0.79 RORC (0.47) KIF11MLYCDNR1H2MCHR1
SCHEMBL356423 0.78 TAAR1 (0.43) LMNAMMP1
SCHEMBL18387995 0.73 AR (0.48) KIF11CA1CA2LMNAMLYCD
SCHEMBL354691 0.71 TAAR1 (0.52) LMNA
SCHEMBL6009058 0.70 CA1 (0.40) FPR2CA1CA2HSD11B1
SCHEMBL9957835 0.70 HDAC1 (0.51) KIF11HDAC8MMP1
SCHEMBL13851591 0.70 TAAR1 (0.46) CA2LMNA

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 KIF11 4786/4885FPR2 465/4885MMP2 2046/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 KIF11 4404/4885FPR2 747/4885MMP2 1001/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 KIF11 4574/4885FPR2 839/4885MMP2 1101/4885

“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.