SCHEMBL1864530

SCHEMBL1864530

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(Cl)cc1Cl)OCCO2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.55
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.37
MRGPRX1 Q96LB2 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 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
SCHEMBL1865330 0.93 TLR4 (0.54) TLR4MAPK1MRGPRX1ALDH1A1MAPT
SCHEMBL1861968 0.93 TLR4 (0.55) TLR4MEN1KMT2AMRGPRX1ALDH1A1
SCHEMBL1872614 0.93 TLR4 (0.51) TLR4MEN1KMT2AMAPK1MRGPRX1
SCHEMBL1864104 0.91 TLR4 (0.54) TLR4ALDH1A1MAPTL3MBTL1
SCHEMBL1863576 0.91 TLR4 (0.68) TLR4KMT2AMRGPRX1ALDH1A1
SCHEMBL1861643 0.91 TLR4 (0.66) TLR4KMT2AMRGPRX1ALDH1A1MAPT
SCHEMBL1865534 0.91 TLR4 (0.52) TLR4MAPK1MRGPRX1MAPTNPC1
SCHEMBL1866303 0.90 TLR4 (0.51) TLR4MRGPRX1MAPTPOLB
SCHEMBL1859878 0.90 TLR4 (0.57) TLR4MEN1KMT2AMRGPRX1MAPT
SCHEMBL1864396 0.90 TLR4 (0.52) TLR4MEN1KMT2AALDH1A1

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 29/4885MEN1 4180/4885KMT2A 4559/4885

“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.