SCHEMBL1869229

SCHEMBL1869229

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(C)cc1Cl)O[C@H](CO)[C@@H](CO)O2

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.53
MRGPRX1 Q96LB2 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HRH1 P35367 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
NAMPT P43490 1/20 0.32
TP53 P04637 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
SCHEMBL1869580 0.93 TLR4 (0.53) TLR4MRGPRX1LMNAALDH1A1KDM4E
SCHEMBL1866346 0.92 TLR4 (0.65) TLR4MRGPRX1LMNAHRH1KMT2A
SCHEMBL1862850 0.92 TLR4 (0.65) TLR4MRGPRX1LMNAHRH1KMT2A
SCHEMBL1866486 0.92 TLR4 (0.65) TLR4MRGPRX1LMNAHRH1KMT2A
SCHEMBL1862533 0.92 TLR4 (0.65) TLR4MRGPRX1LMNAHRH1KMT2A
SCHEMBL1870224 0.90 TLR4 (0.48) TLR4LMNAALDH1A1KDM4EMEN1
SCHEMBL1862290 0.90 TLR4 (0.48) TLR4LMNAALDH1A1KDM4EMEN1
SCHEMBL4147605 0.89 TLR4 (0.41) TLR4LMNAKDM4EMEN1KMT2A
SCHEMBL1861968 0.89 TLR4 (0.55) TLR4MRGPRX1LMNAALDH1A1KDM4E
SCHEMBL1862788 0.86 TLR4 (0.50) TLR4MRGPRX1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 29/4885MRGPRX1 1203/4885LMNA 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.