SCHEMBL1862809

SCHEMBL1862809

CCOC(=O)C1=CC(=O)CCC1S(=O)(=O)Nc1ccc(F)cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.74
MRGPRX1 Q96LB2 4/20 0.41
KMT2A Q03164 1/20 0.40
TSPO P30536 1/20 0.39
LMNA P02545 2/20 0.39
HRH1 P35367 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL871685 0.85 TLR4 (1.00) TLR4MRGPRX1KMT2ATSPOLMNA
SCHEMBL1867169 0.84 TLR4 (0.73) TLR4MRGPRX1KMT2ATSPOLMNA
Resatorvid SCHEMBL872197 0.83 TLR4 (1.00) TLR4MRGPRX1KMT2ATSPOLMNA
Resatorvid SCHEMBL30113148 0.83 TLR4 (1.00) TLR4MRGPRX1KMT2ATSPOLMNA
Resatorvid SCHEMBL29607069 0.83 TLR4 (1.00) TLR4MRGPRX1KMT2ATSPOLMNA
Resatorvid SCHEMBL1821271 0.83 TLR4 (1.00) TLR4MRGPRX1KMT2ATSPOLMNA
Resatorvid SCHEMBL871572 0.83 TLR4 (1.00) TLR4MRGPRX1KMT2ATSPOLMNA
SCHEMBL871253 0.83 TLR4 (1.00) TLR4MRGPRX1KMT2ATSPOLMNA
SCHEMBL1866293 0.82 TLR4 (0.73) TLR4MRGPRX1KMT2ATSPOLMNA
Resatorvid SCHEMBL13944446 0.82 TLR4 (0.85) TLR4MRGPRX1KMT2ATSPOLMNA

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 29/4885MRGPRX1 1203/4885KMT2A 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.