SCHEMBL1867268

SCHEMBL1867268

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1cc(F)c(F)cc1F)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.49
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 3/20 0.32
RECQL P46063 2/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CREBBP Q92793 1/20 0.30
HRH1 P35367 1/20 0.30
MRGPRX1 Q96LB2 1/20 0.30

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
SCHEMBL1862365 0.90 TLR4 (0.53) TLR4HSD17B10KDM4ETSHRHRH1
SCHEMBL1865592 0.90 TLR4 (0.49) TLR4HSD17B10KDM4EHPGDRECQL
SCHEMBL1864126 0.90 TLR4 (0.54) TLR4HSD17B10KDM4EHPGDRECQL
SCHEMBL1863967 0.90 TLR4 (0.55) TLR4HSD17B10TP53CYP1A2CYP2C9
SCHEMBL1859878 0.89 TLR4 (0.57) TLR4HSD17B10KDM4EGAAMRGPRX1
SCHEMBL1861643 0.88 TLR4 (0.66) TLR4HSD17B10KDM4EALDH1A1MRGPRX1
SCHEMBL1866325 0.88 TLR4 (0.49) TLR4HSD17B10KDM4ETSHRSMN1; SMN2
SCHEMBL1862651 0.88 TLR4 (0.51) TLR4HSD17B10KDM4EHPGDRECQL
SCHEMBL1867680 0.87 TLR4 (0.51) TLR4HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL1867885 0.87 TLR4 (0.46) TLR4HSD17B10KDM4EHPGDRECQL

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 29/4885HSD17B10 2510/4885KDM4E 4338/4885

“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.