SCHEMBL1865243

SCHEMBL1865243

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(F)cc1Cl)OCC(C)(C)CO2

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.68
MRGPRX1 Q96LB2 4/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSPO P30536 1/20 0.36
HRH1 P35367 1/20 0.36
TP53 P04637 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
SCHEMBL1863576 0.95 TLR4 (0.68) TLR4MRGPRX1LMNAKMT2ANPSR1
SCHEMBL1859433 0.93 TLR4 (0.64) TLR4MRGPRX1LMNAKMT2ANPSR1
SCHEMBL1866691 0.93 TLR4 (0.64) TLR4MRGPRX1LMNAKMT2ANPSR1
SCHEMBL1869385 0.93 TLR4 (0.67) TLR4MRGPRX1LMNAKMT2ANPSR1
SCHEMBL1862070 0.93 TLR4 (0.67) TLR4MRGPRX1LMNAKMT2ANPSR1
SCHEMBL1863271 0.92 TLR4 (0.65) TLR4MRGPRX1LMNAKMT2ANPSR1
SCHEMBL1866600 0.92 TLR4 (0.67) TLR4MRGPRX1LMNAKMT2ANPSR1
SCHEMBL12634427 0.92 TLR4 (0.62) TLR4MRGPRX1LMNAKMT2ANPSR1
SCHEMBL14176521 0.90 TLR4 (0.61) TLR4MRGPRX1LMNAKMT2ANPSR1
SCHEMBL1861912 0.90 TLR4 (0.62) TLR4MRGPRX1LMNAKMT2ATSPO

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 29/4885MRGPRX1 1203/4885LMNA 1566/4885

“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.