SCHEMBL4858232

SCHEMBL4858232

Cc1cn(C2CCC(CC(=O)O)CC2N)c(=O)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.45
TYMP P19971 1/20 0.44
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ALB P02768 1/20 0.39
POLB P06746 1/20 0.39
ADRA1A P35348 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL4855372 0.79 SLC28A1 (0.36) ALDH1A1
SCHEMBL4859519 0.78 TK1 (0.38) TK1TYMP
SCHEMBL4859530 0.78 TK1 (0.38) TK1TYMP
SCHEMBL9514246 0.74 TK1 (0.55) TK1ALB
SCHEMBL9514240 0.74 TK1 (0.55) TK1ALB
SCHEMBL9470997 0.71 ALDH1A1 (0.53) TK1ALDH1A1LMNAALBPOLB
SCHEMBL10515986 0.70 TK1 (0.53) TK1ALDH1A1LMNAALBPOLB
SCHEMBL10515982 0.70 TK1 (0.53) TK1ALDH1A1LMNAALBPOLB
SCHEMBL4850989 0.70 PNP (0.49) BLM
SCHEMBL30688593 0.69 LMNA (0.51) TK1ALDH1A1LMNAALBPOLB

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 11 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
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 disclosed
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 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 TK1 2926/4885TYMP 1912/4885ALDH1A1 3544/4885

“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.