SCHEMBL7126864

SCHEMBL7126864

CCCCOc1ccccc1Sc1nc(N)nc2c1ncn2CC(C)OCP(CC(F)(F)F)CC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.41
CYP1A2 P05177 5/20 0.39
CYP2D6 P10635 9/20 0.36
CYP2C9 P11712 4/20 0.36
CYP2C19 P33261 4/20 0.36
HIF1A Q16665 4/20 0.36
CYP3A4 P08684 11/20 0.34
TP53 P04637 1/20 0.34
HK1 P19367 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PHLPP2 Q6ZVD8 1/20 0.33

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
SCHEMBL7126407 0.96 SLC29A1 (0.41) SLC29A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7128734 0.93 CYP1A2 (0.40) SLC29A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7122887 0.91 CYP1A2 (0.42) SLC29A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7121151 0.91 CYP1A2 (0.41) SLC29A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7131221 0.90 CYP1A2 (0.40) SLC29A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7131161 0.87 SLC29A1 (0.42) SLC29A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7129084 0.87 SLC29A1 (0.43) SLC29A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7128716 0.86 CYP1A2 (0.41) SLC29A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7128601 0.86 SLC29A1 (0.41) SLC29A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7771314 0.85 SLC29A1 (0.46) SLC29A1CYP1A2CYP2D6CYP2C9CYP2C19

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-20030109498-A1 Antiviral agent for drug-resistant virus MITSUBISHI PHARMA CORPORATION (JP) 2003-06-12 US claimed
US-20030109498-A1 Antiviral agent for drug-resistant virus MITSUBISHI PHARMA CORPORATION (JP) 2003-06-12 US disclosed
EP-0785208-B1 Phosphonate nucleotide compounds MITSUBISHI CHEM CORP (JP) 2001-03-21 EP disclosed
EP-0785208-A1 Phosphonate nucleotide compounds MITSUBISHI CHEMICAL CORPORATION (JP) 1997-07-23 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-20030109498-A1 Antiviral agent for drug-resistant virus TPMT, MTAP, TYMP SLC29A1 5/4885CYP1A2 1083/4885CYP2D6 142/4885

“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.