SCHEMBL6909391

SCHEMBL6909391

CC(=O)C(O)[C@H]1O[C@@H](n2cnc3c(N(C)C)ncnc32)[C@](O)(C(C)=O)[C@@]1(O)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 11/20 0.39
ANPEP P15144 8/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
CYP3A4 P08684 2/20 0.37
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37

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
SCHEMBL4833723 0.87 ADORA3 (0.37) LMNA
SCHEMBL6386486 0.86 PDE4A (0.37) LMNA
SCHEMBL30544925 0.86 ADORA2A (0.49) LMNAHIF1A
SCHEMBL4834707 0.86 PDE4A (0.37) LMNA
SCHEMBL4948918 0.77 LMNA (0.43) TP53LMNA
SCHEMBL29606234 0.76 PRKAB2 (0.52) SMN1; SMN2LMNACYP1A2MAPK1HTT
SCHEMBL5498228 0.76 LMNA (0.37) TP53LMNA
SCHEMBL5492971 0.76 NT5E (0.38) TP53LMNA
SCHEMBL5735963 0.75 LMNA (0.35) TP53LMNA
SCHEMBL9404373 0.75 LMNA (0.35) TP53LMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699690-B2 LINKED AND CONTROLLING THE EXPRESSION OF A HETEROLOGOUS ENZYME, FOR EXAMPLE VARICELLA ZOSTER VIRUS THYMIDINE KINASE OR NON-MAMMALIAM CYTOSINE DEAMINASE SMITHKLINE BEECHAM CORPORATION 2004-03-02 US disclosed
US-20020055482-A1 Linked and controlling the expression of a heterologous enzyme, for example Varicella Zoster Virus Thymidine Kinase or non-mammaliam Cytosine Deaminase SMITHKLINE BEECHAM CORPORATION 2002-05-09 US disclosed
US-6300490-B1 EXPRESSION VECTOR CODING CYTOSINE DEAMINASE; FOR USE IN THE TREATMENT OF CANCERS GLAXO WELLCOME INC. 2001-10-09 US disclosed
EP-0294114-A2 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1988-12-07 EP 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-20020055482-A1 Linked and controlling the expression of a heterologous enzyme, for example Varicella Zoster Virus Thymidine Kinase or non-mammaliam Cytosine Deaminase TK1, CDA, DCTD NPEPPS 1063/4885ANPEP 2720/4885SMN1; SMN2 2729/4885

“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.