SCHEMBL1862805

SCHEMBL1862805

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccccc1Cl)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.50
MAPT P10636 4/20 0.39
TSHR P16473 6/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 2/20 0.36
ATM Q13315 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 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
SCHEMBL1866883 0.93 TLR4 (0.47) TLR4MAPTTSHRGAAKDM4E
SCHEMBL1861053 0.90 TLR4 (0.43) TLR4MAPTTSHRGAAKDM4E
SCHEMBL1866081 0.90 TLR4 (0.42) TLR4TSHRGAAKDM4ESMN1; SMN2
SCHEMBL1865628 0.90 TLR4 (0.45) TLR4MAPTTSHRGAAKDM4E
SCHEMBL1872614 0.89 TLR4 (0.51) TLR4MAPTTSHRGAAKDM4E
SCHEMBL1861968 0.89 TLR4 (0.55) TLR4MAPTKDM4ELMNAALDH1A1
SCHEMBL1864530 0.89 TLR4 (0.55) TLR4MAPTTSHRALDH1A1NPC1
SCHEMBL1867851 0.89 TLR4 (0.42) TLR4TSHRGAAKDM4ESMN1; SMN2
SCHEMBL1859769 0.89 TLR4 (0.42) TLR4TSHRGAAKDM4ESMN1; SMN2
SCHEMBL1866325 0.89 TLR4 (0.49) TLR4MAPTTSHRKDM4ESMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935879-B1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-05-11 EP disclosed
EP-1935879-B1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-05-11 EP disclosed
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 29/4885MAPT 4856/4885TSHR 3200/4885

“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.