SCHEMBL1842907

SCHEMBL1842907

COC(=O)CCCC1COC(C)(C)O1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
CA2 P00918 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.37
GLA P06280 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
EPHX2 P34913 4/20 0.35
NAMPT P43490 3/20 0.34

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
SCHEMBL24326321 1.00 TSHR (0.42) TSHRCA2SIRT2GLAALDH1A1
SCHEMBL15786354 0.90 CA2 (0.44) TSHRCA2SIRT2ALDH1A1NPSR1
SCHEMBL28924707 0.90 CA2 (0.44) TSHRCA2SIRT2ALDH1A1NPSR1
SCHEMBL25961260 0.90 CA2 (0.44) TSHRCA2SIRT2ALDH1A1NPSR1
SCHEMBL8869148 0.82 TBXA2R (0.43) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL8869137 0.82 TBXA2R (0.43) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL4528384 0.80 CA2 (0.46) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL4526320 0.80 CA2 (0.46) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL21135291 0.80 CA2 (0.48) TSHRCA2ALDH1A1NPSR1TMEM97
SCHEMBL8917799 0.80 CA2 (0.41) TSHRCA2ALDH1A1NPSR1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322518-B1 Method of manufacture of 1,3-dioxolane and 1,3-oxathiolane nucleosides GILEAD SCIENCES INC (US) 2015-02-25 EP disclosed
EP-2322518-A1 Method of manufacture of 1,3-dioxolane and 1,3-oxathiolane nucleosides Gilead Sciences, Inc. (US) 2011-05-18 EP disclosed
US-6939965-B2 Process of manufacture of 1,3-oxathiolane nucleosides using titanium trichloride mono-isopropoxide GILEAD SCIENCES, INC. (US) 2005-09-06 US disclosed
EP-1535921-A1 Method of manufacture of 1,3-oxathiolane nucleosides GILEAD SCIENCES, INC. (US) 2005-06-01 EP disclosed
EP-1361223-B1 Method of manufacture of 1,3-oxathiolane nucleosides GILEAD SCIENCES INC (US) 2005-04-06 EP disclosed
EP-1104415-B1 METHOD OF MANUFACTURE OF 1,3-OXATHIOLANE NUCLEOSIDES GILEAD SCIENCES INC (US) 2004-11-10 EP disclosed
EP-1361223-A1 Method of manufacture of 1,3-oxathiolane nucleosides Triangle Pharmaceuticals Inc. (US) 2003-11-12 EP disclosed
US-20030144532-A1 Method of manufacture of 1,3-oxathiolane nucleosides GILEAD SCIENCES, INC. 2003-07-31 US disclosed
US-6576776-B1 Method of manufacture of 1,3-oxathiolane nucleosides TRIANGLE PHARMACEUTICALS, INC. 2003-06-10 US disclosed
US-6518425-B1 A process for producing a 1,3-oxathiolane nucleoside comprising reacting a 5-halo-2-protected-oxymethyl-1,3-oxathiolane with a silylated purine or pyrimidine without the addition of a Lewis acid or an additional base to the reaction EMORY UNIVERSITY 2003-02-11 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 (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-20030144532-A1 Method of manufacture of 1,3-oxathiolane nucleosides NUDT1, PNP, TYMP TSHR 3447/4885CA2 4386/4885SIRT2 2290/4885

“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.