SCHEMBL1866325

SCHEMBL1866325

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccccc1F)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.49
TSHR P16473 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
PSIP1 O75475 1/20 0.37
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CREBBP Q92793 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL1866369 0.90 TLR4 (0.46) TLR4TSHRLMNAMAPTSMN1; SMN2
SCHEMBL1861053 0.90 TLR4 (0.43) TLR4TSHRLMNAMAPTHSD17B10
SCHEMBL1866081 0.90 TLR4 (0.42) TLR4TSHRLMNASMN1; SMN2HSD17B10
SCHEMBL1864126 0.89 TLR4 (0.54) TLR4TSHRLMNAHSD17B10KDM4E
SCHEMBL1862365 0.89 TLR4 (0.53) TLR4TSHRHSD17B10KDM4E
SCHEMBL1863967 0.89 TLR4 (0.55) TLR4THRBHSD17B10L3MBTL1
SCHEMBL1865592 0.89 TLR4 (0.49) TLR4TSHRLMNAMAPTSMN1; SMN2
SCHEMBL1859769 0.89 TLR4 (0.42) TLR4TSHRLMNASMN1; SMN2HSD17B10
SCHEMBL1867851 0.89 TLR4 (0.42) TLR4TSHRLMNASMN1; SMN2HSD17B10
SCHEMBL1862805 0.89 TLR4 (0.50) TLR4TSHRLMNAMAPTSMN1; SMN2

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 29/4885TSHR 3200/4885LMNA 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.