SCHEMBL1869394

SCHEMBL1869394

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(F)c(F)c1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.46
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 2/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ALDH1A1 P00352 1/20 0.35
P2RY12 Q9H244 1/20 0.35

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 0.92 TLR4 (0.48) TLR4TP53SMN1; SMN2KDM4EHSD17B10
SCHEMBL1865715 0.91 TLR4 (0.43) TLR4SMN1; SMN2KDM4EHSD17B10HPGD
SCHEMBL1861011 0.91 TLR4 (0.43) TLR4SMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL1869694 0.90 TLR4 (0.47) TLR4TP53SMN1; SMN2KDM4EHPGD
SCHEMBL1865497 0.88 TLR4 (0.46) TLR4SMN1; SMN2KDM4EHPGDRECQL
SCHEMBL1862680 0.87 TLR4 (0.45) TLR4SMN1; SMN2KDM4EHPGDRECQL
SCHEMBL1867268 0.87 TLR4 (0.49) TLR4TP53POLBSMN1; SMN2KDM4E
SCHEMBL1862365 0.86 TLR4 (0.53) TLR4KDM4EHSD17B10
SCHEMBL1865592 0.86 TLR4 (0.49) TLR4TP53POLBSMN1; SMN2KDM4E
SCHEMBL1862651 0.86 TLR4 (0.51) TLR4SMN1; SMN2KDM4EHSD17B10HPGD

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 29/4885TP53 3239/4885POLB 3715/4885

“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.