SCHEMBL2906181

SCHEMBL2906181

CC(C)(C)C(=O)OCOP(=O)(COC1(Cn2cnc3c(Sc4ccc([N+](=O)[O-])cc4)nc(N)nc32)CC1)OCOC(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.40
POLA1 P09884 1/20 0.40
POLG P54098 1/20 0.40
FAP Q12884 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
CYP1A2 P05177 2/20 0.35
SLC29A1 Q99808 4/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
HBB P68871 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL2908636 0.91 FAP (0.43) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2908647 0.90 ABCB11 (0.39) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2908325 0.90 FAP (0.42) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2914722 0.87 ABCB11 (0.39) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2906962 0.86 ABCB11 (0.36) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2914545 0.85 CYP1A2 (0.40) CYP1A2SLC29A1LMNARAB9ACYP3A4
SCHEMBL5942100 0.82 FAP (0.54) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL4271752 0.82 FAP (0.49) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL5942455 0.82 FAP (0.49) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL4271082 0.81 ABCB11 (0.49) ABCB11POLA1POLGFAPSLC22A6

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
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-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 claimed
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same CHO DONG-GYU 2006-12-28 US claimed
US-20060052346-A1 Nucleoside phosphonate derivatives useful in the treatment of HIV infections LG LIFE SCIENCES LTD. (KR) 2006-03-09 US claimed
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 disclosed
US-20060052346-A1 Nucleoside phosphonate derivatives useful in the treatment of HIV infections LG LIFE SCIENCES LTD. (KR) 2006-03-09 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 ABCB11 517/4885POLA1 213/4885POLG 552/4885
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP ABCB11 478/4885POLA1 430/4885POLG 1217/4885

“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.