SCHEMBL4158515

SCHEMBL4158515

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.44
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
NAMPT P43490 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 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
SCHEMBL4162957 0.95 TLR4 (0.42) TLR4KMT2ANPC1RAB9A
SCHEMBL4162961 0.95 TLR4 (0.42) TLR4KMT2ANPC1RAB9A
SCHEMBL4163038 0.93 TLR4 (0.44) TLR4KMT2ANPC1RAB9AALDH1A1
SCHEMBL1866860 0.90 TLR4 (0.57) TLR4KMT2ALMNA
SCHEMBL1869440 0.90 TLR4 (0.57) TLR4KMT2ALMNA
SCHEMBL4146695 0.87 TLR4 (0.47) TLR4KMT2ANPC1RAB9AALDH1A1
SCHEMBL4150878 0.87 TLR4 (0.47) TLR4KMT2ANPC1RAB9AALDH1A1
SCHEMBL1862422 0.85 TLR4 (0.56) TLR4KMT2ALMNA
SCHEMBL1867397 0.85 TLR4 (0.56) TLR4KMT2ALMNA
SCHEMBL17727720 0.84 TLR4 (0.47) TLR4KMT2ANPC1RAB9AALDH1A1

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.