SCHEMBL1863586

SCHEMBL1863586

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(F)cc1Cl)OC[C@H](CO)O2

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.62
MRGPRX1 Q96LB2 4/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSPO P30536 1/20 0.34
HRH1 P35367 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL15146253 1.00 TLR4 (0.62) TLR4MRGPRX1LMNATP53KMT2A
SCHEMBL1863349 1.00 TLR4 (0.62) TLR4MRGPRX1LMNATP53KMT2A
SCHEMBL1872797 1.00 TLR4 (0.62) TLR4MRGPRX1LMNATP53KMT2A
SCHEMBL12634733 0.94 TLR4 (0.61) TLR4MRGPRX1LMNATP53KMT2A
SCHEMBL1866663 0.92 TLR4 (0.59) TLR4MRGPRX1LMNATP53KMT2A
SCHEMBL1868087 0.92 TLR4 (0.59) TLR4MRGPRX1LMNATP53KMT2A
SCHEMBL1863367 0.91 TLR4 (0.57) TLR4MRGPRX1LMNATP53TSPO
SCHEMBL1862038 0.91 TLR4 (0.57) TLR4MRGPRX1LMNATP53TSPO
SCHEMBL1862850 0.90 TLR4 (0.65) TLR4MRGPRX1LMNATP53KMT2A
SCHEMBL1866486 0.90 TLR4 (0.65) TLR4MRGPRX1LMNATP53KMT2A

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-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
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.