SCHEMBL6761639

SCHEMBL6761639

OC[C@H]1O[C@@H](n2cnc3c(NCC4CCCCC4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.75
▸ ADORA2A P29274 2/20 0.75
▸ PMP22 Q01453 2/20 0.75
▸ SMN1; SMN2 Q16637 1/20 0.75
▸ TDP1 Q9NUW8 1/20 0.75
▸ CYP2C19 P33261 1/20 0.75
▸ THPO P40225 1/20 0.75
▸ ADORA3 P0DMS8 2/20 0.73
▸ ADORA1 P30542 2/20 0.73
▸ GAA P10253 1/20 0.73
▸ ADORA2B P29275 1/20 0.73
▸ HTT P42858 1/20 0.73
▸ SIGMAR1 Q99720 1/20 0.73
▸ SLC29A1 Q99808 1/20 0.73
▸ RXFP1 Q9HBX9 1/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ TP53 P04637 1/20 0.73
▸ NFKB1 P19838 1/20 0.73
▸ HIF1A Q16665 1/20 0.73

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
SCHEMBL15189003 1.00 TSHR (0.75) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL14713268 1.00 TSHR (0.75) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL15189015 1.00 TSHR (0.75) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL20626247 1.00 TSHR (0.75) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL17033118 0.86 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL145856 0.86 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL12119008 0.86 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL145857 0.86 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL16081270 0.86 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL472588 0.86 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110718-A1 Anti-HCV nucleoside derivatives DEVOS RENE (GB) 2004-06-10 — — US claimed
CN-1466591-A Nucleoside derivatives - 2004-01-07 — — CN claimed
WO-2002018404-A9 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HOFFMANN LA ROCHE (CH) 2003-10-02 — — WO claimed
EP-1315736-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 — — EP claimed
US-20030008841-A1 Anti-HCV nucleoside derivatives F. HOFFMAN-LA ROCHE, A SWISS COMPANY (CH) 2003-01-09 — — US claimed
WO-2002018404-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 — — WO claimed
US-20040110718-A1 Anti-HCV nucleoside derivatives DEVOS RENE (GB) 2004-06-10 — — US disclosed
CN-1466591-A Nucleoside derivatives - 2004-01-07 — — CN disclosed
WO-2002018404-A9 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HOFFMANN LA ROCHE (CH) 2003-10-02 — — WO disclosed
EP-1315736-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 — — EP disclosed
US-20030008841-A1 Anti-HCV nucleoside derivatives F. HOFFMAN-LA ROCHE, A SWISS COMPANY (CH) 2003-01-09 — — US disclosed
WO-2002018404-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 — — 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-20030008841-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 TSHR 4452/4885ADORA2A 70/4885PMP22 4754/4885
US-20040110718-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 TSHR 4452/4885ADORA2A 70/4885PMP22 4754/4885

“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.

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