SCHEMBL1738333

SCHEMBL1738333

CC(=O)OC[C@@H]1C=C[C@H](OC(C)=O)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.37
CA12 O43570 10/20 0.34
CA9 Q16790 10/20 0.34
MAPT P10636 5/20 0.34
CYP3A4 P08684 4/20 0.34
CYP2C19 P33261 3/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
CA1 P00915 8/20 0.33
CA2 P00918 8/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2D6 P10635 2/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL5485344 1.00 NLRP3 (0.37) NLRP3CA12CA9MAPTCYP3A4
SCHEMBL1738334 1.00 NLRP3 (0.37) NLRP3CA12CA9MAPTCYP3A4
SCHEMBL12157261 0.81 CA12 (0.36) CA12CA9TSHRCA1CA2
SCHEMBL12386266 0.78 CYP3A4 (0.40) CA12CA9MAPTCYP3A4CYP2C19
SCHEMBL12386229 0.78 CYP3A4 (0.40) CA12CA9MAPTCYP3A4CYP2C19
SCHEMBL254386 0.78 CA12 (0.42) CA12CA9TSHRCA1CA2
SCHEMBL11548379 0.78 CA12 (0.42) CA12CA9TSHRCA1CA2
SCHEMBL11746006 0.78 CA12 (0.42) CA12CA9TSHRCA1CA2
SCHEMBL2290500 0.78 CA12 (0.42) CA12CA9TSHRCA1CA2
SCHEMBL11548381 0.78 CA12 (0.42) CA12CA9TSHRCA1CA2

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 19 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-8168583-B2 2-fluoronucleosides UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-05-01 US disclosed
EP-2392580-A1 2'-fluoronucleosides Emory University (US) 2011-12-07 EP disclosed
EP-2390257-A1 2'-fluoronucleosides Emory University (US) 2011-11-30 EP disclosed
US-20110256952-A1 GOLF CLUB, SHAFT REPLACING METHOD AND HEAD REPLACING METHOD BRIDGESTONE SPORTS CO., LTD. (JP) 2011-10-20 US disclosed
US-20100173863-A1 2-Fluoronucleosides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-07-08 US disclosed
US-7662938-B2 2′-fluoronucleosides EMORY UNIVERSITY (US) 2010-02-16 US disclosed
US-20080300398-A1 2'-FLUORONUCLEOSIDES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-04 US disclosed
US-7307065-B2 2′-Fluoronucleosides EMORY UNIVERSITY (US) 2007-12-11 US disclosed
EP-1754710-A2 2'-Fluoroncucleosides Emory University (US) 2007-02-21 EP disclosed
US-6911424-B2 2′-fluoronucleosides EMORY UNIVERSITY (US) 2005-06-28 US disclosed
US-20040254141-A1 2'-Fluoronucleosides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-12-16 US disclosed
US-20020198171-A1 2'-fluoronucleosides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-12-26 US disclosed
US-6348587-B1 PURINE OR PYRIMIDINE BASE DERIVATIVES; ANTICANCER, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS; TREATING HIV AND HEPATITIS EMORY UNIVERSITY 2002-02-19 US disclosed
EP-1058686-A1 2'-FLUORONUCLEOSIDES EMORY UNIVERSITY (US) 2000-12-13 EP disclosed
WO-1999043691-A1 2'-FLUORONUCLEOSIDES EMORY UNIVERSITY (US) 1999-09-02 WO 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 (6 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-20020198171-A1 2'-fluoronucleosides NSUN2, PNP, FDPS NLRP3 3746/4885CA12 4425/4885CA9 4616/4885
US-20040254141-A1 2'-Fluoronucleosides NSUN2, PNP, FDPS NLRP3 3746/4885CA12 4425/4885CA9 4616/4885
US-20100173863-A1 2-Fluoronucleosides PNP, BCL3, NPC1 NLRP3 4047/4885CA12 3846/4885CA9 4328/4885
US-20080300398-A1 2'-FLUORONUCLEOSIDES METTL3, BCL3, PNP NLRP3 3445/4885CA12 4320/4885CA9 4283/4885
US-20160158266-A1 2' FLUORONUCLEOSIDES PNP, BCL3, NPC1 NLRP3 4018/4885CA12 3832/4885CA9 4305/4885
US-20130157971-A1 2'-FLUORONUCLEOSIDES PNP, BCL3, FUBP3 NLRP3 3697/4885CA12 3714/4885CA9 4232/4885

“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.