SCHEMBL2910508

SCHEMBL2910508

CC(C)OC(=O)OCC(COC(=O)OC(C)C)(OC1(Cn2cnc3c(N)ncnc32)CC1(C)C)P(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAP Q12884 3/20 0.51
CYP3A4 P08684 7/20 0.44
SLC22A6 Q4U2R8 2/20 0.42
FGFR1 P11362 1/20 0.42
ABCB11 O95342 1/20 0.41
POLA1 P09884 1/20 0.41
POLG P54098 1/20 0.41
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
STING1 Q86WV6 2/20 0.39
CYP2D6 P10635 6/20 0.38
ALDH1A1 P00352 1/20 0.38
ADORA2B P29275 1/20 0.38
ENPP1 P22413 1/20 0.37

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
SCHEMBL2937354 0.88 FAP (0.52) FAPCYP3A4SLC22A6FGFR1ABCB11
SCHEMBL2914387 0.85 FAP (0.35) FAPALDH1A1
SCHEMBL4274931 0.84 FAP (0.51) FAPCYP3A4SLC22A6FGFR1ABCB11
SCHEMBL2942704 0.82 FAP (0.51) FAPCYP3A4SLC22A6FGFR1ADORA2A
SCHEMBL2913580 0.82 CYP3A4 (0.50) CYP3A4SLC22A6FGFR1ADORA2AADORA1
SCHEMBL2942702 0.81 FAP (0.50) FAPCYP3A4SLC22A6FGFR1ADORA2A
SCHEMBL2913934 0.79 FAP (0.50) FAPCYP3A4SLC22A6FGFR1ABCB11
SCHEMBL3290251 0.75 FGFR1 (0.60) FAPCYP3A4SLC22A6FGFR1ABCB11
SCHEMBL4265957 0.75 FAP (0.53) FAPCYP3A4SLC22A6FGFR1ABCB11
SCHEMBL13328650 0.74 CYP3A4 (0.48) FAPCYP3A4SLC22A6FGFR1ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358198-B1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD (KR) 2010-08-25 EP claimed
US-20060052346-A1 Nucleoside phosphonate derivatives useful in the treatment of HIV infections LG LIFE SCIENCES LTD. (KR) 2006-03-09 US claimed
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2004-04-01 US claimed
US-7723319-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2010-05-25 US disclosed
US-7157448-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2007-01-02 US disclosed
US-20060052346-A1 Nucleoside phosphonate derivatives useful in the treatment of HIV infections LG LIFE SCIENCES LTD. (KR) 2006-03-09 US disclosed
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2004-04-01 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 (2 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-20060052346-A1 Nucleoside phosphonate derivatives useful in the treatment of HIV infections PNP, TYMP, ENTPD5 FAP 2508/4885CYP3A4 1213/4885SLC22A6 989/4885
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP FAP 2016/4885CYP3A4 456/4885SLC22A6 1234/4885

“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.