SCHEMBL13328463

SCHEMBL13328463

CC(C)(C)C(=O)OCOP(=O)(COC1(Cn2cnc3c(N4CCCCC4)nc(N)nc32)CC1)OCOC(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAP Q12884 3/20 0.46
ABCB11 O95342 1/20 0.46
POLA1 P09884 1/20 0.46
POLG P54098 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
TLR9 Q9NR96 5/20 0.39
TLR7 Q9NYK1 5/20 0.39
HRH4 Q9H3N8 1/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CNR2 P34972 8/20 0.33
ENO1 P06733 1/20 0.30

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
SCHEMBL13328467 0.99 FAP (0.46) FAPABCB11POLA1POLGSLC22A6
SCHEMBL13328465 0.93 FAP (0.47) FAPABCB11POLA1POLGSLC22A6
SCHEMBL4267837 0.92 ABCB11 (0.44) FAPABCB11POLA1POLGSLC22A6
SCHEMBL5942455 0.88 FAP (0.49) FAPABCB11POLA1POLGSLC22A6
SCHEMBL4271752 0.88 FAP (0.49) FAPABCB11POLA1POLGSLC22A6
SCHEMBL5942100 0.88 FAP (0.54) FAPABCB11POLA1POLGSLC22A6
SCHEMBL2908701 0.88 ABCB11 (0.41) FAPABCB11POLA1POLGSLC22A6
SCHEMBL4271082 0.88 ABCB11 (0.49) FAPABCB11POLA1POLGSLC22A6
SCHEMBL5942442 0.87 FAP (0.50) FAPABCB11POLA1POLGSLC22A6
SCHEMBL4266003 0.86 FAP (0.47) FAPABCB11POLA1POLGSLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100004440-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same CHO DONG-GYU 2010-01-07 US disclosed
US-7605147-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2009-10-20 US disclosed
US-7605147-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2009-10-20 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-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

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-20100004440-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP FAP 2016/4885ABCB11 478/4885POLA1 430/4885

“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.