SCHEMBL6847582

SCHEMBL6847582

CC(Cn1cnc2c(Sc3ccc(O)cc3)nc(N)nc21)OCP(=O)(O)O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.56
SLC29A1 Q99808 1/20 0.44
HPRT1 P00492 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 10/20 0.41
TP53 P04637 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL7127530 0.93 CYP3A4 (0.56) CYP3A4SLC29A1HPRT1CYP1A2CYP2D6
SCHEMBL20012357 0.92 CYP3A4 (0.53) CYP3A4SLC29A1HPRT1CYP1A2CYP2D6
SCHEMBL7131234 0.92 CYP3A4 (0.53) CYP3A4SLC29A1HPRT1CYP1A2CYP2D6
SCHEMBL7128278 0.91 CYP3A4 (0.52) CYP3A4SLC29A1HPRT1CYP1A2CYP2D6
SCHEMBL7127594 0.91 CYP3A4 (0.52) CYP3A4SLC29A1HPRT1CYP1A2CYP2D6
SCHEMBL7119660 0.90 CYP3A4 (0.52) CYP3A4SLC29A1HPRT1CYP1A2CYP2D6
SCHEMBL6846259 0.90 CYP3A4 (0.52) CYP3A4SLC29A1HPRT1CYP1A2CYP2D6
SCHEMBL7122259 0.89 CYP3A4 (0.51) CYP3A4SLC29A1HPRT1CYP1A2CYP2D6
SCHEMBL7131157 0.89 CYP3A4 (0.51) CYP3A4SLC29A1HPRT1CYP2D6
SCHEMBL6847975 0.87 CYP3A4 (0.42) CYP3A4SLC29A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6767900-B2 VIRICIDES AGAINST HERPES, HUMAN IMMUNODEFICIENCY, HEPATITIS, CYTOMEGALO AND VARICELLA- ZOSTER VIRUSES MITSUBISHI PHARMA CORPORATION (JP) 2004-07-27 US claimed
US-20030153534-A1 Phosphonate nucleotide compound MITSUBISHI PHARMA CORPORATION (JP) 2003-08-14 US claimed
US-20030109498-A1 Antiviral agent for drug-resistant virus MITSUBISHI PHARMA CORPORATION (JP) 2003-06-12 US claimed
US-6767900-B2 VIRICIDES AGAINST HERPES, HUMAN IMMUNODEFICIENCY, HEPATITIS, CYTOMEGALO AND VARICELLA- ZOSTER VIRUSES MITSUBISHI PHARMA CORPORATION (JP) 2004-07-27 US disclosed
US-20030153534-A1 Phosphonate nucleotide compound MITSUBISHI PHARMA CORPORATION (JP) 2003-08-14 US disclosed
US-20030109498-A1 Antiviral agent for drug-resistant virus MITSUBISHI PHARMA CORPORATION (JP) 2003-06-12 US disclosed
WO-2003028737-A1 ANTI-VIRAL AGENTS AND IN-VITRO METHOD FOR THE IDENTIFICATION OF CANDIDATES ABLE TO INHIBIT BINDING OF POLYMERASE TO EPSILON MITSUBISHI PHARMA CORPORATION (JP) 2003-04-10 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 (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-20030109498-A1 Antiviral agent for drug-resistant virus TPMT, MTAP, TYMP CYP3A4 977/4885SLC29A1 5/4885HPRT1 14/4885
US-20030153534-A1 Phosphonate nucleotide compound TYMP, PNP, MTAP CYP3A4 958/4885SLC29A1 9/4885HPRT1 17/4885

“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.