SCHEMBL4384199

SCHEMBL4384199

COOC[C@H]1O[C@](n2cc(C)c(=O)[nH]c2=O)(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TK1 P04183 9/20 0.38
TK2 O00142 7/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL4135171 1.00 TK1 (0.38) TK1TK2HPGD
SCHEMBL4856132 0.90 HSP90AA1 (0.38) TK1
SCHEMBL4592382 0.89 TK2 (0.36) TK1TK2HPGD
SCHEMBL1727535 0.88 RNASE1 (0.40) TK1TK2
SCHEMBL7743997 0.88 TK1 (0.37) TK1TK2
SCHEMBL2379938 0.87 RNASE1 (0.37) TK1TK2
SCHEMBL8426742 0.86 TK1 (0.38) TK1TK2
SCHEMBL8370048 0.85 RNASE1 (0.38) TK1TK2
SCHEMBL29834197 0.84 TK1 (0.36) TK1TK2
SCHEMBL7863893 0.83 RNASE1 (0.37) TK1TK2

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-1113020-B1 Nucleosides and oligonucleotides containing boron clusters UNIV EMORY (US) 2009-10-28 EP disclosed
US-6583122-B2 Use in boron neutron capture therapy (BNCT) and diagnostic purposes; treating cancer, viral infections such as HIV, hepatitis B virus EMORY UNIVERSITY 2003-06-24 US disclosed
US-20020160969-A1 Nucleosides and oligonucleotides containing boron clusters DEPARTMENT OF VETERANS AFFAIRS 2002-10-31 US disclosed
EP-1113020-A2 Nucleosides and oligonucleotides containing boron clusters EMORY UNIVERSITY (US) 2001-07-04 EP disclosed
US-6180766-B1 OLIGONUCLEOTIDE WITH UNCHARGED INTERNUCLEOTIDE LINKAGE(S) OF 3',5'-O,O-((CARBORAN-1-YL-METHYL)PHOSPHONATE); MADE BY REACTING O-METHYL(O-CARBORAN-1-YL)METHYL PHOSPHONATE WITH PROTECTED NUCLEOSIDE; USE IN BORON NEUTRON CAPTURE THERAPY DEPARTMENT OF VETERANS AFFAIRS 2001-01-30 US disclosed
US-5872107-A ANTICARCINOGENIC AGENTS CAPTURE THERAPY FOR TUMORS EMORY UNIVERSITY (US) 1999-02-16 US disclosed
EP-0731808-A4 NUCLEOSIDES AND OLIGONUCLEOTIDES CONTAINING BORON CLUSTERS UNIV EMORY (US) 1997-04-02 EP disclosed
US-5599796-A USING BORON CLUSTER-CONTAINING NUCLEOSIDES OR OLIGONUCLEOTIDES; PARTICULARLY EFFECTIVE FOR BLADDER, PROSTATE AND KIDNEY EMORY UNIVERSITY (US) 1997-02-04 US disclosed
EP-0731808-A1 NUCLEOSIDES AND OLIGONUCLEOTIDES CONTAINING BORON CLUSTERS EMORY UNIVERSITY (US) 1996-09-18 EP disclosed
WO-1995015333-A1 NUCLEOSIDES AND OLIGONUCLEOTIDES CONTAINING BORON CLUSTERS EMORY UNIVERSITY (US) 1995-06-08 WO disclosed
US-4469863-A ANTITUMOR AGENTS, VIRICIDES GENTA INCORPORATED 1984-09-04 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-20020160969-A1 Nucleosides and oligonucleotides containing boron clusters NUDT1, NTPCR, NAMPT TK1 76/4885TK2 93/4885HPGD 3975/4885

“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.