SCHEMBL1679043

SCHEMBL1679043

CCCCCCS(=O)(=O)NC1CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
RELA Q04206 4/20 0.40
CA2 P00918 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL22363303 1.00 FAAH (0.43) FAAHPSEN1PSEN2APH1BNCSTN
SCHEMBL21316483 1.00 FAAH (0.43) FAAHPSEN1PSEN2APH1BNCSTN
SCHEMBL1678500 0.98 PSEN1 (0.44) FAAHPSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL1950726 0.96 PSEN1 (0.43) FAAHPSEN1PSEN2APH1BNCSTN
SCHEMBL21210710 0.92 EPHX1 (0.42) CA12CA7CA14
SCHEMBL1678264 0.92 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4559183 0.91 CA12 (0.45) CA12CA7CA14
SCHEMBL27664375 0.91 CA12 (0.45) CA12CA7CA14
SCHEMBL22252444 0.90 CA1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22778264 0.88 HCRTR2 (0.39) FAAHPSEN1PSEN2APH1BNCSTN

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 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 (2 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-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI FAAH 2718/4885PSEN1 372/4885PSEN2 564/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 FAAH 1410/4885PSEN1 2635/4885PSEN2 1662/4885

“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.