SCHEMBL13169261

SCHEMBL13169261

[C-]#[N+]CCOP(OC1C[C@H](n2cc(/C=C/C(=O)NCCCCCCNC(=O)C(F)(F)F)c(=O)[nH]c2=O)O[C@@H]1CC)N(C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TK1 P04183 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TK2 O00142 3/20 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
SCHEMBL16772812 0.88 TYMS (0.36) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL20215608 0.87 TYMS (0.35) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL16772883 0.86 TYMS (0.34) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL8739275 0.81 TYMS (0.35) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL12537242 0.80 TYMS (0.33) TYMS
SCHEMBL25972011 0.79 TYMS (0.49) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL25521863 0.79 CYP1A2 (0.34) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL26144928 0.75 TYMS (0.42) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL25521874 0.75 CYP1A2 (0.30) TYMSCYP1A2CYP3A4TSHRTK1
SCHEMBL13403288 0.74 TYMS (0.30) TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354523-B2 Oligonucleotide probes and uses thereof ALLELOGIC BIOSCIENCES CORPORATION (US) 2013-01-15 US disclosed
US-20100240103-A1 OLIGONUCLEOTIDES LABELED WITH A PLURALITY OF FLUOROPHORES ALLELOGIC BIOSCIENCES CORPORATION 2010-09-23 US disclosed
US-20100086916-A1 OLIGONUCLEOTIDE PROBES AND USES THEREOF ALLELOGIC BIOSCIENCES CORPORATION 2010-04-08 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 (2 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-20100086916-A1 OLIGONUCLEOTIDE PROBES AND USES THEREOF POLRMT, DCLRE1B, RNGTT TYMS 252/4885CYP1A2 3840/4885CYP3A4 2916/4885
US-20100240103-A1 OLIGONUCLEOTIDES LABELED WITH A PLURALITY OF FLUOROPHORES RNASE1, NT5E, POLI TYMS 85/4885CYP1A2 3557/4885CYP3A4 2062/4885

“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.