SCHEMBL1861643

SCHEMBL1861643

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(Cl)cc1F)OCCO2

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.66
LMNA P02545 2/20 0.38
MRGPRX1 Q96LB2 2/20 0.38
TRPV1 Q8NER1 5/20 0.37
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
FPR1 P21462 1/20 0.33
FPR2 P25090 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
SCHEMBL1859878 0.94 TLR4 (0.57) TLR4LMNAMRGPRX1KMT2AKDM4E
SCHEMBL1863967 0.91 TLR4 (0.55) TLR4MRGPRX1HSD17B10L3MBTL1
SCHEMBL1864126 0.91 TLR4 (0.54) TLR4LMNAMRGPRX1TRPV1KDM4E
SCHEMBL1865330 0.91 TLR4 (0.54) TLR4LMNAMRGPRX1ALDH1A1MAPT
SCHEMBL1864530 0.91 TLR4 (0.55) TLR4MRGPRX1KMT2AALDH1A1L3MBTL1
SCHEMBL1865534 0.90 TLR4 (0.52) TLR4LMNAMRGPRX1KDM4EMAPT
SCHEMBL1872614 0.89 TLR4 (0.51) TLR4LMNAMRGPRX1KMT2AKDM4E
SCHEMBL1862651 0.89 TLR4 (0.51) TLR4MRGPRX1KDM4EHSD17B10
SCHEMBL1866303 0.89 TLR4 (0.51) TLR4LMNAMRGPRX1MAPT
SCHEMBL1867680 0.89 TLR4 (0.51) TLR4LMNAKMT2AKDM4EHSD17B10

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 29/4885LMNA 1566/4885MRGPRX1 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.