SCHEMBL4392695

SCHEMBL4392695

[CH2]CCCCCS(N)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.39
CA1 P00915 12/20 0.36
CA9 Q16790 12/20 0.36
CA12 O43570 3/20 0.36
CA3 P07451 3/20 0.36
CA4 P22748 3/20 0.36
CA6 P23280 3/20 0.36
CA5A P35218 3/20 0.36
CA7 P43166 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA5B Q9Y2D0 3/20 0.36

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
SCHEMBL27625464 1.00 CA2 (0.39) CA2CA1CA9CA12CA3
SCHEMBL27607145 1.00 CA2 (0.39) CA2CA1CA9CA12CA3
SCHEMBL27607021 1.00 CA2 (0.39) CA2CA1CA9CA12CA3
SCHEMBL5200383 1.00 CA2 (0.39) CA2CA1CA9CA12CA3
SCHEMBL195680 0.97
SCHEMBL483134 0.88
SCHEMBL30041571 0.85 CA2 (0.48) CA2CA1CA9CA12CA3
SCHEMBL8069056 0.85 CA2 (0.48) CA2CA1CA9CA12CA3
SCHEMBL11147913 0.85 CA2 (0.48) CA2CA1CA9CA12CA3
SCHEMBL10798852 0.85 CA2 (0.48) CA2CA1CA9CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-10 US disclosed
CN-101233108-A Cyclic amine derivative having substituted alkyl group DAIICHI SANKYO CO LTD (JP) 2008-07-30 CN disclosed
EP-1889835-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP Daiichi Sankyo Company, Limited (JP) 2008-02-20 EP disclosed
CN-100341947-C Method for the production of perylen-3,4:9,10-tetracarboxylic acid diimides and perylen-3,4:9,10-tetracarboxylic acid dianhydride and naphtalene-1,8-dicarboxylimides BASF AG (DE) 2007-10-10 CN disclosed
CN-1649967-A Method for the production of perylen-3,4:9,10-tetracarboxylic acid diimides and perylen-3,4:9,10-tetracarboxylic acid dianhydride and naphtalene-1,8-dicarboxylimides BASF AG (DE) 2005-08-03 CN disclosed
EP-0215435-B1 2-OXA-ISOCEPHEM COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
US-4831026-A ANTIBIOTICS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0215435-A1 2-Oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-03-25 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-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP CBR3, CNR1, C3AR1 CA2 610/4885CA1 495/4885CA9 311/4885

“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.