SCHEMBL1027300

SCHEMBL1027300

O=c1[nH]c(=O)n([C@H]2CO[C@H](CO)O2)cc1I

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.60
PYGM P11217 1/20 0.52
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P2RY6 Q15077 1/20 0.41
P2RY14 Q15391 1/20 0.41
ALOX12 P18054 1/20 0.40
ADRA1A P35348 1/20 0.40
TK2 O00142 1/20 0.40

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
SCHEMBL465624 1.00 TK1 (0.60) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL465623 1.00 TK1 (0.60) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL3415528 1.00 TK1 (0.60) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL6314490 0.84 LMNA (0.55) TK1LMNATSHRBLMPMP22
SCHEMBL1129570 0.84 LMNA (0.55) TK1LMNATSHRBLMPMP22
SCHEMBL1130181 0.84 LMNA (0.55) TK1LMNATSHRBLMPMP22
SCHEMBL6753208 0.84 SMN1; SMN2 (0.54) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL6760136 0.84 LMNA (0.55) TK1LMNATSHRBLMPMP22
SCHEMBL6752642 0.84 LMNA (0.60) TK1LMNASMN1; SMN2TSHRPMP22
SCHEMBL7701755 0.84 LMNA (0.55) TK1LMNATSHRBLMPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720840-B1 METHODS TO MANUFACTURE 1,3-DIOXOLANE NUCLEOSIDES UNIV EMORY (US) 2016-02-03 EP disclosed
US-8420354-B2 Methods to manufacture 1,3-dioxolane nucleosides EMORY UNIVERSITY (US) 2013-04-16 US disclosed
US-20110130559-A1 Methods to Manufacture 1,3-Dioxolane Nucleosides GILEAD SCIENCES, INC. (US) 2011-06-02 US disclosed
EP-1534255-B1 PROCESSES FOR PREPARING 1,3-DIOXOLANE NUCLEOSIDES PHARMASSET INC (US) 2011-01-19 EP disclosed
US-7785839-B2 Methods to manufacture 1,3-dioxolane nucleosides EMORY UNIVERSITY (US) 2010-08-31 US disclosed
EP-1720840-A4 METHODS TO MANUFACTURE 1,3-DIOXOLANE NUCLEOSIDES UNIV EMORY (US) 2009-01-21 EP disclosed
EP-1720840-A2 METHODS TO MANUFACTURE 1,3-DIOXOLANE NUCLEOSIDES EMORY UNIVERSITY (US) 2006-11-15 EP disclosed
US-20060036092-A1 Methods to manufacture 1,3-dioxolane nucleosides SZNAIDMAN MARCOS 2006-02-16 US disclosed
WO-2005074654-A2 METHODS TO MANUFACTURE 1,3-DIOXOLANE NUCLEOSIDES EMORY UNIVERSITY (US) 2005-08-18 WO disclosed
US-6855821-B2 Processes for preparing 1,3-dioxolane nucleosides PHARMASSET, LTD. (US) 2005-02-15 US disclosed
US-20040087806-A1 Processes for preparing 1,3-dioxolane nucleosides PHARMASSET, INC. 2004-05-06 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-20040087806-A1 Processes for preparing 1,3-dioxolane nucleosides NUDT1, PNP, DPYD TK1 65/4885PYGM 1677/4885LMNA 788/4885
US-20060036092-A1 Methods to manufacture 1,3-dioxolane nucleosides DCTD, AMPD1, DAD1 TK1 265/4885PYGM 1817/4885LMNA 260/4885
US-20110130559-A1 Methods to Manufacture 1,3-Dioxolane Nucleosides DCTD, AMPD1, DAD1 TK1 254/4885PYGM 2104/4885LMNA 266/4885

“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.