SCHEMBL1860003

SCHEMBL1860003

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(F)cc1Cl)CCC1(COCOO1)CO2

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.57
LMNA P02545 2/20 0.34
MRGPRX1 Q96LB2 2/20 0.33
TP53 P04637 1/20 0.32
MKNK2 Q9HBH9 3/20 0.32
KMT2A Q03164 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL1868552 0.88 TLR4 (0.70) TLR4LMNAMRGPRX1TP53KMT2A
SCHEMBL1864759 0.84 TLR4 (0.66) TLR4LMNAMRGPRX1KMT2AHRH1
SCHEMBL12634427 0.80 TLR4 (0.62) TLR4LMNAMRGPRX1TP53KMT2A
SCHEMBL1863576 0.80 TLR4 (0.68) TLR4LMNAMRGPRX1KMT2AHRH1
SCHEMBL1865243 0.80 TLR4 (0.68) TLR4LMNAMRGPRX1TP53KMT2A
SCHEMBL1867169 0.79 TLR4 (0.73) TLR4LMNAMRGPRX1KMT2AHRH1
SCHEMBL1866293 0.79 TLR4 (0.73) TLR4LMNAMRGPRX1KMT2AHRH1
SCHEMBL871509 0.79 TLR4 (0.73) TLR4LMNAMRGPRX1KMT2AHRH1
SCHEMBL1863271 0.79 TLR4 (0.65) TLR4LMNAMRGPRX1KMT2AHRH1
SCHEMBL12634741 0.79 TLR4 (0.65) TLR4LMNAMRGPRX1TP53MKNK2

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
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-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 29/4885LMNA 1566/4885MRGPRX1 1203/4885

“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.