SCHEMBL4157181

SCHEMBL4157181

O=C(O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(F)cc1Cl)O[C@H](COC(=O)c1ccccc1)[C@@H](COC(=O)c1ccccc1)O2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.50
KMT2A Q03164 1/20 0.35
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MRGPRX1 Q96LB2 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
NAMPT P43490 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31

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
SCHEMBL1862042 0.92 TLR4 (0.60) TLR4POLBGAAALDH1A1MRGPRX1
SCHEMBL1865706 0.92 TLR4 (0.60) TLR4POLBGAAALDH1A1MRGPRX1
SCHEMBL4143552 0.90 TLR4 (0.51) TLR4KMT2APOLBGAANPSR1
SCHEMBL4151044 0.90 TLR4 (0.48) TLR4KMT2APOLBMRGPRX1NPC1
SCHEMBL17727732 0.90 TLR4 (0.48) TLR4KMT2APOLBMRGPRX1NPC1
SCHEMBL4153914 0.90 TLR4 (0.48) TLR4KMT2APOLBMRGPRX1NPC1
SCHEMBL4149935 0.88 TLR4 (0.51) TLR4KMT2APOLBMRGPRX1NPC1
SCHEMBL4153029 0.88 TLR4 (0.51) TLR4KMT2APOLBMRGPRX1NPC1
SCHEMBL4147590 0.88 TLR4 (0.46) TLR4KMT2AMRGPRX1NPC1RAB9A
SCHEMBL17727727 0.86 TLR4 (0.49) TLR4KMT2APOLBGAAALDH1A1

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 4 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
US-RE43858-E1 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-11 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 TLR4 29/4885KMT2A 4559/4885POLB 3715/4885

“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.