SCHEMBL1866089

SCHEMBL1866089

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccccc1C(C)=O)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 1/20 0.42
TLR4 O00206 5/20 0.42
LMNA P02545 4/20 0.41
MRGPRX1 Q96LB2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CNR2 P34972 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL1861053 0.90 TLR4 (0.43) KDM4ETSHRHSD17B10KMT2ATLR4
SCHEMBL1866081 0.90 TLR4 (0.42) KDM4ETSHRHSD17B10KMT2ATLR4
SCHEMBL1866325 0.89 TLR4 (0.49) KDM4ETSHRHSD17B10KMT2ATLR4
SCHEMBL1859103 0.89 TLR4 (0.42) KDM4ETSHRHSD17B10KMT2ATLR4
SCHEMBL1862805 0.89 TLR4 (0.50) KDM4ETSHRHSD17B10KMT2ATLR4
SCHEMBL1859769 0.89 TLR4 (0.42) KDM4ETSHRHSD17B10KMT2ATLR4
SCHEMBL1867851 0.89 TLR4 (0.42) KDM4ETSHRHSD17B10KMT2ATLR4
SCHEMBL1864914 0.88 TLR4 (0.43) TLR4LMNAMRGPRX1ALDH1A1HTT
SCHEMBL1869924 0.88 TLR4 (0.41) KDM4ETSHRHSD17B10KMT2ATLR4
SCHEMBL1868580 0.88 MRGPRX1 (0.45) HSD17B10KMT2ATLR4LMNAMRGPRX1

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 6 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

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 KDM4E 4338/4885TSHR 3200/4885HSD17B10 2510/4885

“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.