SCHEMBL733918

SCHEMBL733918

Cc1cn([C@H]2C[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](COC(=O)c3ccccc3C(=O)Oc3ccccc3C#N)O2)c(=O)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.41
TK1 P04183 5/20 0.36
ABCG2 Q9UNQ0 3/20 0.35
ABCB1 P08183 1/20 0.35
TK2 O00142 1/20 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
SCHEMBL753349 1.00 RNASE1 (0.41) RNASE1TK1ABCG2ABCB1TK2
SCHEMBL735246 0.88 RNASE1 (0.39) RNASE1TK1ABCG2ABCB1TK2
SCHEMBL753541 0.88 RNASE1 (0.39) RNASE1TK1ABCG2ABCB1TK2
SCHEMBL21620261 0.83 RNASE1 (0.41) RNASE1TK1ABCG2ABCB1
SCHEMBL13939944 0.82 TK1 (0.41) RNASE1TK1
SCHEMBL12330511 0.81 RNASE1 (0.51) RNASE1TK1
SCHEMBL12991085 0.81 RNASE1 (0.42) RNASE1TK1
SCHEMBL9913497 0.81 RNASE1 (0.42) RNASE1TK1
SCHEMBL9550734 0.81 RNASE1 (0.43) RNASE1TK1TK2
SCHEMBL8658448 0.81 RNASE1 (0.43) RNASE1TK1TK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138330-B2 Solid phase synthesis via deblocking immobilized nucleoside, then coupling acyl protected nucleoside phosphoramidite SIGMA-ALDRICH CO. LLC (US) 2012-03-20 US disclosed
US-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES SIGMA ALDRICH COMPANY (US) 2008-03-13 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-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES RNGTT, DUT, ADAR RNASE1 154/4885TK1 138/4885ABCG2 1677/4885

“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.