SCHEMBL4149935

SCHEMBL4149935

COC[C@H]1OC2(C=C(C(=O)O)C(S(=O)(=O)Nc3ccc(F)cc3Cl)CC2)O[C@@H]1COC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.51
KMT2A Q03164 1/20 0.37
MRGPRX1 Q96LB2 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
TSPO P30536 1/20 0.33
POLB P06746 1/20 0.33
PI4KB Q9UBF8 1/20 0.32
NAMPT P43490 1/20 0.32
PYGL P06737 1/20 0.32
CHRM3 P20309 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
SCHEMBL4153029 1.00 TLR4 (0.51) TLR4KMT2AMRGPRX1NPC1RAB9A
SCHEMBL4143552 0.92 TLR4 (0.51) TLR4KMT2AMRGPRX1NPC1RAB9A
SCHEMBL1863029 0.90 TLR4 (0.63) TLR4KMT2AMRGPRX1LMNATP53
SCHEMBL1864585 0.90 TLR4 (0.63) TLR4KMT2AMRGPRX1LMNATP53
SCHEMBL4146514 0.89 TLR4 (0.49) TLR4KMT2AMRGPRX1NPC1RAB9A
SCHEMBL14136690 0.89 TLR4 (0.49) TLR4KMT2AMRGPRX1NPC1RAB9A
SCHEMBL4141115 0.89 TLR4 (0.49) TLR4KMT2AMRGPRX1NPC1RAB9A
SCHEMBL17727727 0.89 TLR4 (0.49) TLR4KMT2AMRGPRX1NPC1RAB9A
SCHEMBL4157181 0.88 TLR4 (0.50) TLR4KMT2AMRGPRX1NPC1RAB9A
SCHEMBL4147590 0.88 TLR4 (0.46) TLR4KMT2AMRGPRX1NPC1RAB9A

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 29/4885KMT2A 4559/4885MRGPRX1 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.