SCHEMBL4147605

SCHEMBL4147605

Cc1ccc(NS(=O)(=O)C2CCC3(C=C2C(=O)O)O[C@H](CO)[C@@H](CO)O3)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.41
METAP2 P50579 1/20 0.34
NAMPT P43490 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
THRB P10828 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
RORC P51449 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
SCHEMBL4144948 0.91 TLR4 (0.38) TLR4NAMPTMEN1KMT2AMAPT
SCHEMBL1869229 0.89 TLR4 (0.53) TLR4NAMPTMEN1KMT2AMAPT
SCHEMBL17727727 0.89 TLR4 (0.49) TLR4NAMPTKMT2ALMNATP53
SCHEMBL14136690 0.89 TLR4 (0.49) TLR4NAMPTKMT2ALMNATP53
SCHEMBL4146514 0.89 TLR4 (0.49) TLR4NAMPTKMT2ALMNATP53
SCHEMBL4141115 0.89 TLR4 (0.49) TLR4NAMPTKMT2ALMNATP53
SCHEMBL4154931 0.87 PTK2B (0.35) TLR4MEN1KMT2AKDM4E
SCHEMBL17727700 0.87 PTK2B (0.35) TLR4MEN1KMT2AKDM4E
SCHEMBL1869232 0.84 TLR4 (0.38) TLR4METAP2NAMPTTHRBMAPT
SCHEMBL4146713 0.83 TLR4 (0.41) TLR4METAP2LMNAKDM4E

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 3 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-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 29/4885METAP2 1955/4885NAMPT 4606/4885

“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.