SCHEMBL4138878

SCHEMBL4138878

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.48
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MRGPRX1 Q96LB2 1/20 0.32
POLB P06746 1/20 0.32
ACLY P53396 1/20 0.31
METAP2 P50579 1/20 0.31
NAMPT P43490 1/20 0.31
RORC P51449 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
NPY1R P25929 1/20 0.30
NPY2R P49146 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL4146829 0.91 TLR4 (0.50) TLR4KMT2ANPC1RAB9ALMNA
SCHEMBL17727720 0.90 TLR4 (0.47) TLR4KMT2ANPC1RAB9ALMNA
SCHEMBL4154958 0.90 TLR4 (0.47) TLR4KMT2ANPC1RAB9ALMNA
SCHEMBL1865748 0.88 TLR4 (0.63) TLR4KMT2ALMNATP53MRGPRX1
SCHEMBL17727727 0.85 TLR4 (0.49) TLR4KMT2ANPC1RAB9ALMNA
SCHEMBL4146514 0.85 TLR4 (0.49) TLR4KMT2ANPC1RAB9ALMNA
SCHEMBL14136690 0.85 TLR4 (0.49) TLR4KMT2ANPC1RAB9ALMNA
SCHEMBL4141115 0.85 TLR4 (0.49) TLR4KMT2ANPC1RAB9ALMNA
SCHEMBL14176734 0.85 TLR4 (0.51) TLR4KMT2ANPC1RAB9ALMNA
SCHEMBL1865788 0.85 TLR4 (0.50) TLR4KMT2ANPC1RAB9ALMNA

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 4559/4885NPC1 4325/4885

“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.