SCHEMBL4897987

SCHEMBL4897987

CC(C)(C)[Si](C)(C)OC[C@H]1C=C[C@@H](n2cnc3c(Cl)nc(N)nc32)C[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 5/20 0.39
▸ NT5E P21589 1/20 0.37
▸ NR1I2 O75469 1/20 0.36
▸ ALB P02768 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ BCHE P06276 1/20 0.34
▸ HSP90AA1 P07900 4/20 0.33
▸ HSP90AB1 P08238 4/20 0.33
▸ AHCY P23526 1/20 0.32
▸ HINT1 P49773 1/20 0.32

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
SCHEMBL4891135 0.82 ADCY5 (0.47) —
SCHEMBL3912998 0.79 NT5E (0.37) ABCB1NT5EHSP90AA1HSP90AB1AHCY
SCHEMBL3910024 0.79 NT5E (0.37) ABCB1NT5EHSP90AA1HSP90AB1AHCY
SCHEMBL4897999 0.79 ABCB1 (0.33) ABCB1NT5ENR1I2ALBPDE4D
SCHEMBL9684332 0.78 NT5E (0.44) ABCB1NT5EPDE4DHSP90AA1HSP90AB1
SCHEMBL887526 0.74 NT5E (0.54) NT5EPDE4D
SCHEMBL21545820 0.74 NT5E (0.54) NT5EPDE4D
SCHEMBL21959765 0.74 LMNA (0.49) NT5EPDE4D
SCHEMBL10022904 0.74 NT5E (0.54) NT5EPDE4D
SCHEMBL27527275 0.74 ADCY5 (0.43) ABCB1NT5ENR1I2ALBPDE4D

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-20080176813-A1 CARBOCYCLIC NUCLEOSIDES AND PROCESS FOR OBTAINING SUCH STICHTING REGA VZW (BE) 2008-07-24 — — US claimed
EP-1210347-B1 CARBOCYCLIC NUCLEOSIDES AND PROCESS FOR OBTAINING SUCH STICHTING REGA V Z W (BE) 2004-06-23 — — EP claimed
US-20080176813-A1 CARBOCYCLIC NUCLEOSIDES AND PROCESS FOR OBTAINING SUCH STICHTING REGA VZW (BE) 2008-07-24 — — US disclosed
EP-1210347-B1 CARBOCYCLIC NUCLEOSIDES AND PROCESS FOR OBTAINING SUCH STICHTING REGA V Z W (BE) 2004-06-23 — — 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-20080176813-A1 CARBOCYCLIC NUCLEOSIDES AND PROCESS FOR OBTAINING SUCH ATIC, ADORA2A, ADORA3 ABCB1 328/4885NT5E 272/4885NR1I2 991/4885

“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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