SCHEMBL1861968

SCHEMBL1861968

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(C)cc1Cl)OCCO2

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.55
ALDH1A1 P00352 2/20 0.35
MRGPRX1 Q96LB2 2/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HRH1 P35367 1/20 0.34
NAMPT P43490 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 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
SCHEMBL1864104 0.93 TLR4 (0.54) TLR4ALDH1A1LMNAKDM4EMAPT
SCHEMBL1864530 0.93 TLR4 (0.55) TLR4ALDH1A1MRGPRX1KMT2AMEN1
SCHEMBL1863576 0.91 TLR4 (0.68) TLR4ALDH1A1MRGPRX1LMNAKMT2A
SCHEMBL1864396 0.90 TLR4 (0.52) TLR4ALDH1A1KMT2AMEN1NAMPT
SCHEMBL1864126 0.89 TLR4 (0.54) TLR4MRGPRX1LMNAKDM4EHRH1
SCHEMBL1862805 0.89 TLR4 (0.50) TLR4ALDH1A1LMNAKDM4EKMT2A
SCHEMBL1869229 0.89 TLR4 (0.53) TLR4ALDH1A1MRGPRX1LMNAKDM4E
SCHEMBL1869385 0.88 TLR4 (0.67) TLR4ALDH1A1MRGPRX1LMNAKDM4E
SCHEMBL1862070 0.88 TLR4 (0.67) TLR4MRGPRX1LMNAKMT2AHRH1
SCHEMBL1865592 0.87 TLR4 (0.49) TLR4ALDH1A1MRGPRX1LMNAKDM4E

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 29/4885ALDH1A1 4252/4885MRGPRX1 1203/4885

“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.