SCHEMBL3280149

SCHEMBL3280149

C=CC[C@]1(COCc2ccccc2)O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](OC(=S)Oc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TK1 P04183 8/20 0.40
HPGD P15428 1/20 0.34
RNASE1 P07998 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
SCHEMBL13382984 1.00 TK1 (0.40) TK1HPGDRNASE1
SCHEMBL13383018 0.93 TK1 (0.37) TK1HPGDRNASE1
SCHEMBL13382988 0.89 TK1 (0.41) TK1HPGDRNASE1
SCHEMBL3274020 0.89 TK1 (0.41) TK1HPGDRNASE1
SCHEMBL15013060 0.88 TK1 (0.35) TK1RNASE1
SCHEMBL30590055 0.86 TK1 (0.40) TK1HPGDRNASE1
SCHEMBL13382985 0.85 TK1 (0.43) TK1HPGD
SCHEMBL3277507 0.82 TK1 (0.38) TK1HPGD
SCHEMBL13383007 0.81 TK1 (0.38) TK1HPGDRNASE1
SCHEMBL15013049 0.81 TK1 (0.34) TK1RNASE1

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
US-8461124-B2 Five- and six-membered conformationally locked 2′,4′-carbocyclic ribo-thymidines for the treatment of infections and cancer CHATTOPADHYAYA JYOTI (SE) 2013-06-11 US disclosed
US-20100087387-A1 FIVE- AND SIX-MEMBERED CONFORMATIONALLY LOCKED 2',4'-CARBOCYCLIC RIBO-THYMIDINES FOR THE TREATMENT OF INFECTIONS AND CANCER CHATTOPADHYAYA JYOTI 2010-04-08 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-20100087387-A1 FIVE- AND SIX-MEMBERED CONFORMATIONALLY LOCKED 2',4'-CARBOCYCLIC RIBO-THYMIDINES FOR THE TREATMENT OF INFECTIONS AND CANCER TYMS, NSUN2, RNMT TK1 12/4885HPGD 4552/4885RNASE1 44/4885

“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.