SCHEMBL1865592

SCHEMBL1865592

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1cc(C)ccc1F)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.49
MRGPRX1 Q96LB2 2/20 0.35
HRH1 P35367 1/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
GLA P06280 1/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 2/20 0.33
RECQL P46063 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CREBBP Q92793 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 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
SCHEMBL1862365 0.93 TLR4 (0.53) TLR4MRGPRX1HRH1HSD17B10KDM4E
SCHEMBL1864126 0.93 TLR4 (0.54) TLR4MRGPRX1HRH1HSD17B10KDM4E
SCHEMBL1859878 0.92 TLR4 (0.57) TLR4MRGPRX1HSD17B10KDM4EMAPT
SCHEMBL1867268 0.90 TLR4 (0.49) TLR4MRGPRX1HRH1HSD17B10KDM4E
SCHEMBL1866325 0.89 TLR4 (0.49) TLR4HSD17B10KDM4ESMN1; SMN2NPC1
SCHEMBL1862651 0.89 TLR4 (0.51) TLR4MRGPRX1HRH1HSD17B10KDM4E
SCHEMBL1861643 0.88 TLR4 (0.66) TLR4MRGPRX1HSD17B10KDM4EMAPT
SCHEMBL1861968 0.87 TLR4 (0.55) TLR4MRGPRX1HRH1KDM4EMAPT
SCHEMBL1863967 0.87 TLR4 (0.55) TLR4MRGPRX1HRH1HSD17B10TP53
SCHEMBL1869394 0.86 TLR4 (0.46) TLR4HSD17B10KDM4EPOLBSMN1; 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 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 TLR4 29/4885MRGPRX1 1203/4885HRH1 228/4885

“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.