SCHEMBL12157261

SCHEMBL12157261

CCC1C=CC(OC(C)=O)C1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.36
CA9 Q16790 4/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
TSHR P16473 1/20 0.31

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
SCHEMBL1738334 0.81 NLRP3 (0.37) CA12CA9CA1CA2TSHR
SCHEMBL5485344 0.81 NLRP3 (0.37) CA12CA9CA1CA2TSHR
SCHEMBL1738333 0.81 NLRP3 (0.37) CA12CA9CA1CA2TSHR
SCHEMBL2290500 0.81 CA12 (0.42) CA12CA9CA1CA2TSHR
SCHEMBL11746006 0.81 CA12 (0.42) CA12CA9CA1CA2TSHR
SCHEMBL254386 0.81 CA12 (0.42) CA12CA9CA1CA2TSHR
SCHEMBL11548381 0.81 CA12 (0.42) CA12CA9CA1CA2TSHR
SCHEMBL11548379 0.81 CA12 (0.42) CA12CA9CA1CA2TSHR
SCHEMBL11835924 0.74 CA12 (0.40) CA12CA9CA1CA2TSHR
SCHEMBL11835919 0.74 CA12 (0.40) CA12CA9CA1CA2TSHR

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-9861652-B2 2′ Fluoronucleosides EMORY UNIVERSITY (US) 2018-01-09 US disclosed
US-20160158266-A1 2' FLUORONUCLEOSIDES EMORY UNIVERSITY 2016-06-09 US disclosed
US-9180138-B2 2′-fluoronucleosides UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-11-10 US disclosed
US-20130157971-A1 2'-FLUORONUCLEOSIDES SCHINAZI RAYMOND F (US) 2013-06-20 US disclosed
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PHARMASSET, INC. 2011-11-03 US 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 (3 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-20160158266-A1 2' FLUORONUCLEOSIDES PNP, BCL3, NPC1 CA12 3832/4885CA9 4305/4885CA1 4667/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH CA12 1232/4885CA9 322/4885CA1 3574/4885
US-20130157971-A1 2'-FLUORONUCLEOSIDES PNP, BCL3, FUBP3 CA12 3714/4885CA9 4232/4885CA1 4644/4885

“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.