SCHEMBL2431876

SCHEMBL2431876

Cc1cn([C@H]2C[C@@H]3O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]3O2)c(=O)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.52
▸ TK1 P04183 5/20 0.47
▸ NT5M Q9NPB1 1/20 0.43
▸ ALB P02768 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41

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
SCHEMBL16964189 1.00 DHFR (0.52) DHFRTK1NT5MALBPKM
SCHEMBL22984005 1.00 DHFR (0.52) DHFRTK1NT5MALBPKM
SCHEMBL8514886 0.88 TK1 (0.46) DHFRTK1NT5MBLMPMP22
SCHEMBL12296875 0.83 DHFR (0.39) DHFRTK1
SCHEMBL16503451 0.83 DUT (0.36) DHFR
SCHEMBL7859796 0.81 TK1 (0.38) DHFRTK1
SCHEMBL21886783 0.81 DHFR (0.41) DHFRTK1ALBLMNABLM
SCHEMBL21886782 0.81 DHFR (0.39) DHFRTK1ALBLMNABLM
SCHEMBL21886784 0.81 DHFR (0.41) DHFRTK1ALBLMNABLM
SCHEMBL2113192 0.81 DHFR (0.41) DHFRTK1ALBLMNABLM

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
EP-2331106-B1 NUCLEOSIDE ANALOGUES USEFUL AS POSITRON EMISSION TOMOGRAPHY (PET) IMAGING AGENTS IMP INNOVATIONS LTD (GB) 2012-10-10 — — EP disclosed
US-20110236312-A1 NUCLEOSIDE ANALOGUES USEFUL AS POSITRON EMISSION TOMOGRAPHY (PET) IMAGING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-09-29 — — 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-20110236312-A1 NUCLEOSIDE ANALOGUES USEFUL AS POSITRON EMISSION TOMOGRAPHY (PET) IMAGING AGENTS TYMP, SLC29A1, NT5C3B DHFR 289/4885TK1 16/4885NT5M 40/4885

“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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