SCHEMBL4151008

SCHEMBL4151008

O=C(O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(F)c(Cl)c1)O[C@H](CO)[C@@H](CO)O2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
MCHR1 Q99705 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TRPA1 O75762 1/20 0.34
PKM P14618 3/20 0.34
IDO1 P14902 1/20 0.34
NR1I2 O75469 1/20 0.34
AHR P35869 1/20 0.34
IDH2 P48735 1/20 0.34
TSHR P16473 1/20 0.33
MALT1 Q9UDY8 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
SCHEMBL1864414 0.88 TLR4 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL4153518 0.84 TLR4 (0.36)
SCHEMBL1864418 0.83 MCHR1 (0.34) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL17727727 0.83 TLR4 (0.49) ALDH1A1KMT2AGAAPKM
SCHEMBL4146514 0.83 TLR4 (0.49) ALDH1A1KMT2AGAAPKM
SCHEMBL4138573 0.83 TLR4 (0.35)
SCHEMBL4141115 0.83 TLR4 (0.49) ALDH1A1KMT2AGAAPKM
SCHEMBL14136690 0.83 TLR4 (0.49) ALDH1A1KMT2AGAAPKM
SCHEMBL4144948 0.83 TLR4 (0.38) ALDH1A1KMT2AMEN1NPSR1TSHR
SCHEMBL19970476 0.82 GRM2 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2

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 ALDH1A1 4252/4885KMT2A 4559/4885MEN1 4180/4885

“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.