SCHEMBL1469836

SCHEMBL1469836

O=c1[nH]c(=O)n([C@H]2CO[C@H](CO)[C@@H](O)C2)cc1I

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.67
PYGM P11217 1/20 0.55
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALOX12 P18054 1/20 0.46
ADRA1A P35348 1/20 0.46
TK2 O00142 1/20 0.45
BCHE P06276 2/20 0.43

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
SCHEMBL1469838 1.00 TK1 (0.67) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL4977332 1.00 TK1 (0.67) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL1469822 0.85 TK1 (0.52) TK1LMNATSHRBLMPMP22
SCHEMBL8296296 0.85 TK1 (0.52) TK1LMNATSHRBLMPMP22
SCHEMBL1469823 0.85 TK1 (0.52) TK1LMNATSHRBLMPMP22
SCHEMBL8907771 0.84 TK1 (0.57) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL8292256 0.83 TK1 (0.70) TK1LMNASMN1; SMN2CYP1A2CYP3A4
Idoxuridine SCHEMBL9951400 0.80 TK1 (1.00) TK1PYGMLMNASMN1; SMN2CYP1A2
Idoxuridine SCHEMBL37714 0.80 TK1 (1.00) TK1PYGMLMNASMN1; SMN2CYP1A2
Idoxuridine SCHEMBL13252710 0.80 TK1 (1.00) TK1PYGMLMNASMN1; SMN2CYP1A2

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-20110070192-A1 Method of preparation of novel nucleoside analogs and uses AUSPEX PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110070192-A1 Method of preparation of novel nucleoside analogs and uses AUSPEX PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110070192-A1 Method of preparation of novel nucleoside analogs and uses AUSPEX PHARMACEUTICALS, INC. 2011-03-24 US disclosed
WO-2005049582-A1 METHOD OF PREPARATION OF NOVEL NUCLEOSIDE ANALOGS AND USES AUSPEX PHARMACEUTICALS, INC. (US) 2005-06-02 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-20110070192-A1 Method of preparation of novel nucleoside analogs and uses RNGTT, TYMP, SLC29A1 TK1 17/4885PYGM 858/4885LMNA 493/4885

“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.