SCHEMBL6846259

SCHEMBL6846259

CC(Cn1cnc2c(Sc3cccc(O)c3)nc(N)nc21)OCP(=O)(O)O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.52
SLC29A1 Q99808 1/20 0.41
CYP1A2 P05177 2/20 0.41
HK1 P19367 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
CYP2D6 P10635 9/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 2/20 0.39
TP53 P04637 1/20 0.39
HPRT1 P00492 2/20 0.39
PNP P00491 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
SCHEMBL7127530 0.90 CYP3A4 (0.56) CYP3A4SLC29A1CYP1A2HK1HKDC1
SCHEMBL6847582 0.90 CYP3A4 (0.56) CYP3A4SLC29A1CYP1A2CYP2D6CYP2C9
SCHEMBL7118739 0.90 CYP3A4 (0.50) CYP3A4SLC29A1CYP1A2HK1HKDC1
SCHEMBL7127145 0.89 CYP3A4 (0.49) CYP3A4SLC29A1CYP1A2HK1HKDC1
SCHEMBL7121168 0.89 CYP3A4 (0.49) CYP3A4SLC29A1CYP1A2HK1HKDC1
SCHEMBL7127111 0.88 CYP3A4 (0.49) CYP3A4SLC29A1CYP1A2HK1HKDC1
SCHEMBL6846399 0.88 CYP3A4 (0.40) CYP3A4SLC29A1CYP1A2HK1HKDC1
SCHEMBL7127153 0.88 CYP3A4 (0.48) CYP3A4SLC29A1CYP1A2HK1HKDC1
SCHEMBL6847667 0.87 FAP (0.40) CYP3A4SLC29A1CYP1A2HK1HKDC1
SCHEMBL7130409 0.87 CYP3A4 (0.47) CYP3A4SLC29A1CYP1A2HK1HKDC1

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 5/4885CYP1A2 1083/4885
US-20030153534-A1 Phosphonate nucleotide compound TYMP, PNP, MTAP CYP3A4 958/4885SLC29A1 9/4885CYP1A2 2063/4885

“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.