SCHEMBL1868580

SCHEMBL1868580

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccccc1OCC)OCCO2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 6/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TLR4 O00206 5/20 0.43
ALDH1A1 P00352 3/20 0.43
TSPO P30536 1/20 0.41
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL1864914 0.93 TLR4 (0.43) MRGPRX1TLR4ALDH1A1SMN1; SMN2LMNA
SCHEMBL1861053 0.90 TLR4 (0.43) MEN1KMT2ATLR4ALDH1A1HSD17B10
SCHEMBL1862120 0.89 TLR4 (0.43) MRGPRX1MEN1KMT2ATLR4ALDH1A1
SCHEMBL1866081 0.89 TLR4 (0.42) MRGPRX1MEN1KMT2ATLR4ALDH1A1
SCHEMBL1867117 0.88 TLR4 (0.41) MRGPRX1KMT2ATLR4ALDH1A1HSD17B10
SCHEMBL1866325 0.88 TLR4 (0.49) MEN1KMT2ATLR4HSD17B10SMN1; SMN2
SCHEMBL1862805 0.88 TLR4 (0.50) MEN1KMT2ATLR4ALDH1A1HSD17B10
SCHEMBL1859769 0.88 TLR4 (0.42) MRGPRX1KMT2ATLR4ALDH1A1HSD17B10
SCHEMBL1867851 0.88 TLR4 (0.42) MRGPRX1KMT2ATLR4ALDH1A1HSD17B10
SCHEMBL1859103 0.88 TLR4 (0.42) MRGPRX1KMT2ATLR4ALDH1A1HSD17B10

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 7 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-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 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
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 MRGPRX1 1203/4885MEN1 4180/4885KMT2A 4559/4885

“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.