SCHEMBL1870224

SCHEMBL1870224

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccccc1Cl)OC(CO)C(CO)O2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.48
TSHR P16473 4/20 0.37
GAA P10253 4/20 0.37
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ATM Q13315 1/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 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
SCHEMBL1862290 1.00 TLR4 (0.48) TLR4TSHRGAAMAPTSMN1; SMN2
SCHEMBL12634761 0.91 TLR4 (0.41) TLR4TSHRGAAMAPTKDM4E
SCHEMBL1869229 0.90 TLR4 (0.53) TLR4MAPTKDM4ELMNAALDH1A1
SCHEMBL1869580 0.90 TLR4 (0.53) TLR4TSHRMAPTKDM4ELMNA
SCHEMBL1863342 0.89 TLR4 (0.40) TLR4TSHRGAAMAPTSMN1; SMN2
SCHEMBL1865403 0.89 TLR4 (0.40) TLR4TSHRGAAMAPTSMN1; SMN2
SCHEMBL1864270 0.89 TLR4 (0.40) TLR4TSHRGAASMN1; SMN2KDM4E
SCHEMBL1862805 0.88 TLR4 (0.50) TLR4TSHRGAAMAPTSMN1; SMN2
SCHEMBL1866486 0.88 TLR4 (0.65) TLR4LMNAKMT2A
SCHEMBL1862850 0.88 TLR4 (0.65) TLR4LMNAKMT2A

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 10 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 claimed
US-RE43858-E1 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-11 US claimed
US-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US claimed
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US claimed
EP-1935879-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-06-25 EP claimed
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-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 29/4885TSHR 3200/4885GAA 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.