SCHEMBL4153932

SCHEMBL4153932

O=C(O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(F)cc1F)O[C@H](CO)[C@@H](CO)O2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.38
TP53 P04637 1/20 0.35
GAA P10253 3/20 0.35
ACLY P53396 1/20 0.35
TRPV1 Q8NER1 4/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDO1 P14902 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
SCHEMBL17727702 1.00 TLR4 (0.38) TLR4TP53GAAACLYTRPV1
SCHEMBL4145794 1.00 TLR4 (0.38) TLR4TP53GAAACLYTRPV1
SCHEMBL15093757 0.91 TLR4 (0.37) TLR4NPC1RAB9ASMN1; SMN2
SCHEMBL4146514 0.91 TLR4 (0.49) TLR4TP53GAAACLYNPC1
SCHEMBL4163042 0.91 TLR4 (0.37) TLR4NPC1RAB9ASMN1; SMN2
SCHEMBL14136690 0.91 TLR4 (0.49) TLR4TP53GAAACLYNPC1
SCHEMBL14136752 0.91 TLR4 (0.37) TLR4NPC1RAB9ASMN1; SMN2
SCHEMBL4141115 0.91 TLR4 (0.49) TLR4TP53GAAACLYNPC1
SCHEMBL17727727 0.91 TLR4 (0.49) TLR4TP53GAAACLYNPC1
SCHEMBL4146713 0.91 TLR4 (0.41) TLR4LMNA

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
EP-1935879-B1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-05-11 EP disclosed
US-RE43858-E1 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-11 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 29/4885TP53 3239/4885GAA 4358/4885

“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.