SCHEMBL4855372

SCHEMBL4855372

NC1CC(CC(=O)O)CCC1n1ccc(=O)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC28A1 O00337 1/20 0.36
SLC28A2 O43868 1/20 0.36
SLC29A1 Q99808 1/20 0.36
SLC28A3 Q9HAS3 1/20 0.36
P2RY2 P41231 6/20 0.35
DUT P33316 3/20 0.35
P2RY4 P51582 3/20 0.35
ADCY5 O95622 1/20 0.34
CRBN Q96SW2 1/20 0.33
P2RY6 Q15077 4/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A12 P48065 2/20 0.31
SLC6A11 P48066 2/20 0.31
SLC6A13 Q9NSD5 2/20 0.31
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4858232 0.79 TK1 (0.45) ALDH1A1
SCHEMBL4855678 0.77 LMNA (0.40) SLC29A1ADCY5
SCHEMBL4850989 0.69 PNP (0.49) ADCY5
SCHEMBL9470375 0.69 SLC28A1 (0.49) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL28629420 0.67 SLC28A1 (0.50) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL9310399 0.66 SLC28A1 (0.52) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL599951 0.66 SLC28A1 (0.46) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL10172061 0.66 SLC28A1 (0.46) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL9308901 0.66 SLC28A1 (0.46) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL599952 0.66 SLC28A1 (0.46) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049678-B1 CYCLOHEXYL AND HETEROCYCLYL NUCLEOSIDE DERIVATIVES, METHOD FOR PRODUCING THESE DERIVATIVES, AND THE USE OF THE DERIVATIVES AND THEIR OLIGOMERS OR CONJUGATES IN PAIRING AND/OR TESTING SYSTEMS SANOFI SA (FR) 2012-10-24 EP claimed
US-7439345-B2 Supramolecular pairing system, its preparation and use NANOGEN RECOGNOMICS GMBH (DE) 2008-10-21 US claimed
US-6689884-B1 Supramolecular pairing system, its preparation and use NANOGEN RECOGNOMICS GMBH (DE) 2004-02-10 US claimed
EP-1049678-A2 CYCLOHEXYL AND HETEROCYCLYL NUCLEOSIDE DERIVATIVES, METHOD FOR PRODUCING THESE DERIVATIVES, AND THE USE OF THE DERIVATIVES AND THEIR OLIGOMERS OR CONJUGATES IN PAIRING AND/OR TESTING SYSTEMS Nanogen Recognomics GmbH (DE) 2000-11-08 EP claimed
WO-1999015509-A2 CYCLOHEXYL AND HETEROCYCLYL NUCLEOSIDE DERIVATIVES, METHOD FOR PRODUCING THESE DERIVATIVES, AND THE USE OF THE DERIVATIVES AND THEIR OLIGOMERS OR CONJUGATES IN PAIRING AND/OR TESTING SYSTEMS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-04-01 WO claimed
EP-1049678-B1 CYCLOHEXYL AND HETEROCYCLYL NUCLEOSIDE DERIVATIVES, METHOD FOR PRODUCING THESE DERIVATIVES, AND THE USE OF THE DERIVATIVES AND THEIR OLIGOMERS OR CONJUGATES IN PAIRING AND/OR TESTING SYSTEMS SANOFI SA (FR) 2012-10-24 EP disclosed
US-7439345-B2 Supramolecular pairing system, its preparation and use NANOGEN RECOGNOMICS GMBH (DE) 2008-10-21 US disclosed
US-20040142451-A1 Supramolecular pairing system, its preparation and use NANOGEN RECOGNOMICS GMBH (DE) 2004-07-22 US disclosed
US-6689884-B1 Supramolecular pairing system, its preparation and use NANOGEN RECOGNOMICS GMBH (DE) 2004-02-10 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-20040142451-A1 Supramolecular pairing system, its preparation and use TIMCC, MTCL3, UACA SLC28A1 2823/4885SLC28A2 3375/4885SLC29A1 836/4885

“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.