SCHEMBL1864414

SCHEMBL1864414

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(F)c(Cl)c1)O[C@H](CO)[C@@H](CO)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HIF1A Q16665 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.34
IDH1 O75874 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 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
SCHEMBL1866297 0.89 TLR4 (0.48) TLR4SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL4151008 0.88 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL1868615 0.85 TLR4 (0.50) TLR4ALDH1A1LMNAMAPT
SCHEMBL1865696 0.85 TLR4 (0.48) TLR4
SCHEMBL1862850 0.85 TLR4 (0.65) TLR4LMNAKMT2ANPSR1TP53
SCHEMBL1862533 0.85 TLR4 (0.65) TLR4LMNAKMT2ANPSR1TP53
SCHEMBL1866346 0.85 TLR4 (0.65) TLR4LMNAKMT2ANPSR1TP53
SCHEMBL1866486 0.85 TLR4 (0.65) TLR4LMNAKMT2ANPSR1TP53
SCHEMBL1869580 0.85 TLR4 (0.53) TLR4ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL19982574 0.84 TLR4 (0.38) TLR4SMN1; SMN2ALDH1A1LMNAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1935879-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-06-25 EP 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 (1 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-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE CD40, LITAF, TNF TLR4 29/4885SMN1; SMN2 4512/4885ALDH1A1 4252/4885

“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.