SCHEMBL1862001

SCHEMBL1862001

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.45
TSHR P16473 4/20 0.35
GAA P10253 3/20 0.35
MAPT P10636 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
IGF1R P08069 1/20 0.32

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
SCHEMBL1858211 0.90 TLR4 (0.38) TLR4TSHRKDM4ELMNAALDH1A1
SCHEMBL1866165 0.89 TLR4 (0.61) TLR4LMNAKMT2AMEN1
SCHEMBL1869562 0.89 TLR4 (0.61) TLR4LMNAKMT2AMEN1
SCHEMBL1864734 0.89 TLR4 (0.40) TLR4TSHRGAAMAPTKDM4E
SCHEMBL1862290 0.88 TLR4 (0.48) TLR4TSHRGAAMAPTSMN1; SMN2
SCHEMBL1870224 0.88 TLR4 (0.48) TLR4TSHRGAAMAPTSMN1; SMN2
SCHEMBL17727733 0.88 PTK2B (0.33) TLR4TSHRSMN1; SMN2KDM4ENPC1
SCHEMBL1860013 0.87 TLR4 (0.36) TLR4TSHRKDM4EHSD17B10KMT2A
SCHEMBL1862985 0.86 TLR4 (0.36) TLR4TSHRKDM4EHSD17B10
SCHEMBL1864461 0.86 TLR4 (0.36) TLR4TSHRKDM4EHSD17B10

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.