SCHEMBL1866297

SCHEMBL1866297

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(F)c(Cl)c1)OCCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.48
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL1869394 0.92 TLR4 (0.46) TLR4ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL1862680 0.92 TLR4 (0.45) TLR4ALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL1865497 0.89 TLR4 (0.46) TLR4ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL1864414 0.89 TLR4 (0.46) TLR4ALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL1865715 0.89 TLR4 (0.43) TLR4SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1861011 0.89 TLR4 (0.43) TLR4ALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL1869694 0.87 TLR4 (0.47) TLR4ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1859878 0.87 TLR4 (0.57) TLR4LMNAL3MBTL1MEN1KMT2A
SCHEMBL1861643 0.86 TLR4 (0.66) TLR4ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL1861989 0.85 TLR4 (0.52) TLR4ALDH1A1SMN1; SMN2LMNAMAPT

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 4252/4885SMN1; SMN2 4512/4885

“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.