SCHEMBL1859762

SCHEMBL1859762

CC(=O)NCC1CSCS1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 1/20 0.35
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MMP2 P08253 1/20 0.31
MMP8 P22894 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
MTNR1A P48039 2/20 0.31
MTNR1B P49286 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
SCHEMBL1869079 0.76 MTNR1A (0.37) FUCA1GLANPSR1KDM4EMAPK1
SCHEMBL1860756 0.71 FUCA1 (0.43) FUCA1GLANPSR1KDM4EMAPK1
SCHEMBL24636837 0.69 FUCA1 (0.35) FUCA1GLANPSR1KDM4EMAPK1
SCHEMBL1863703 0.68 FUCA1 (0.38) FUCA1GLANPSR1KDM4EMAPK1
SCHEMBL1869077 0.66 FUCA1 (0.36) FUCA1GLAMTNR1AMTNR1B
SCHEMBL1868847 0.65
SCHEMBL1866482 0.63 FUCA1 (0.37) FUCA1GLANPSR1MTNR1AMTNR1B
SCHEMBL48633 0.63
SCHEMBL13165688 0.63 TDP1 (0.58) FUCA1GLANPSR1MMP2MMP8
SCHEMBL5179802 0.61

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 4 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-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 FUCA1 1655/4885TMEM97 797/4885SIGMAR1 384/4885

“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.