SCHEMBL1868639

SCHEMBL1868639

CCOC(=O)C1=CCCCC1S(=O)(=O)Nn1c(Br)ccc1Br

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.56
ALDH1A1 P00352 6/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 2/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
WDR5 P61964 1/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL1860668 0.88 TLR4 (0.58) TLR4ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL1863220 0.86 TLR4 (0.61) TLR4ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL1863965 0.85 TLR4 (0.52) TLR4ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL1861096 0.81 TLR4 (0.55) TLR4ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL1865305 0.80 TLR4 (0.54) TLR4ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL1864495 0.78 TLR4 (0.52) TLR4ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL1870350 0.78 TLR4 (0.57) TLR4ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL871427 0.78 TLR4 (0.62) TLR4ALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL16491621 0.78 TLR4 (0.57) TLR4ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL10178083 0.78 TLR4 (0.55) TLR4ALDH1A1LMNASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43858-E1 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-11 US disclosed
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
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
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 29/4885ALDH1A1 4252/4885LMNA 1566/4885

“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.