SCHEMBL7122259

SCHEMBL7122259

CCCOc1ccc(Sc2nc(N)nc3c2ncn3CC(C)OCP(=O)(O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.51
SLC29A1 Q99808 1/20 0.44
CYP2D6 P10635 10/20 0.44
HPRT1 P00492 2/20 0.40
CYP2C19 P33261 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL7131157 0.97 CYP3A4 (0.51) CYP3A4SLC29A1CYP2D6HPRT1
SCHEMBL7128278 0.93 CYP3A4 (0.52) CYP3A4SLC29A1CYP2D6HPRT1CYP2C19
SCHEMBL7119660 0.91 CYP3A4 (0.52) CYP3A4SLC29A1CYP2D6HPRT1CYP2C19
SCHEMBL20012357 0.91 CYP3A4 (0.53) CYP3A4SLC29A1CYP2D6HPRT1CYP1A2
SCHEMBL7131234 0.91 CYP3A4 (0.53) CYP3A4SLC29A1CYP2D6HPRT1CYP1A2
SCHEMBL7127153 0.90 CYP3A4 (0.48) CYP3A4SLC29A1CYP2D6HPRT1CYP2C19
SCHEMBL7127594 0.90 CYP3A4 (0.52) CYP3A4SLC29A1CYP2D6HPRT1CYP2C19
SCHEMBL6847582 0.89 CYP3A4 (0.56) CYP3A4SLC29A1CYP2D6HPRT1CYP2C19
SCHEMBL7130409 0.88 CYP3A4 (0.47) CYP3A4SLC29A1CYP2D6HPRT1CYP1A2
SCHEMBL7127530 0.88 CYP3A4 (0.56) CYP3A4SLC29A1CYP2D6HPRT1CYP2C19

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 2 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

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 CYP3A4 977/4885SLC29A1 5/4885CYP2D6 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.