SCHEMBL23153003

SCHEMBL23153003

CC(=O)O[C@H]1[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@](CCCN=[N+]=[N-])(CCOCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 4/20 0.37
▸ NT5M Q9NPB1 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ RNASE1 P07998 1/20 0.33
▸ ABCG2 Q9UNQ0 3/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ TK2 O00142 2/20 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
SCHEMBL20394037 0.94 TK1 (0.36) TK1NT5MBCHERNASE1ABCG2
SCHEMBL20394003 0.87 TK1 (0.36) TK1NT5MBCHERNASE1
SCHEMBL20394002 0.87 TK1 (0.36) TK1NT5MBCHERNASE1
SCHEMBL23152969 0.83 TK2 (0.39) TK1NT5MBCHERNASE1TK2
SCHEMBL20394047 0.82 TK1 (0.39) TK1
SCHEMBL23152967 0.82 TK1 (0.38) TK1NT5MBCHERNASE1TK2
SCHEMBL14946306 0.82 TK1 (0.44) TK1NT5MBCHERNASE1TK2
SCHEMBL11981102 0.82 TK1 (0.44) TK1NT5MBCHERNASE1TK2
SCHEMBL16648575 0.81 TK1 (0.38) TK1NT5MBCHERNASE1TK2
SCHEMBL23152977 0.81 TK1 (0.41) TK1NT5MBCHERNASE1TK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961269-B2 Bridged nucleic acid GuNA, method for producing same, and intermediate compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2021-03-30 — — 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-10961269-B2 Bridged nucleic acid GuNA, method for producing same, and intermediate compound POLRMT, POLM, NSUN2 TK1 572/4885NT5M 4501/4885BCHE 4041/4885

“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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