SCHEMBL20394084

SCHEMBL20394084

CC(=O)O[C@H]1[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@](COCc2ccccc2)(C(C)N=[N+]=[N-])[C@H]1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 5/20 0.36
▸ NT5M Q9NPB1 1/20 0.34
▸ RNASE1 P07998 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ TK2 O00142 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ALB P02768 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL20394000 0.89 TK1 (0.40) TK1TK2LMNAALBPKM
SCHEMBL25967800 0.85 TK1 (0.40) TK1NT5MRNASE1BCHETK2
SCHEMBL20394002 0.84 TK1 (0.36) TK1NT5MRNASE1BCHELMNA
SCHEMBL20394003 0.84 TK1 (0.36) TK1NT5MRNASE1BCHELMNA
SCHEMBL23152977 0.83 TK1 (0.41) TK1NT5MRNASE1BCHETK2
SCHEMBL26135487 0.83 TK1 (0.42) TK1NT5MRNASE1BCHETK2
SCHEMBL26135489 0.83 TK1 (0.42) TK1NT5MRNASE1BCHETK2
SCHEMBL20394037 0.83 TK1 (0.36) TK1NT5MRNASE1BCHETK2
SCHEMBL1097256 0.81 TK1 (0.39) TK1NT5MRNASE1BCHETK2
SCHEMBL20394059 0.81 BCHE (0.39) BCHELMNACYP2D6

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 3 patents. 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
US-20180251488-A1 CROSSLINKED NUCLEIC ACID GUNA, METHOD FOR PRODUCING SAME, AND INTERMEDIATE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-09-06 — — US disclosed
EP-3351548-A1 CROSSLINKED NUCLEIC ACID GUNA, METHOD FOR PRODUCING SAME, AND INTERMEDIATE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2018-07-25 — — 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 (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-10961269-B2 Bridged nucleic acid GuNA, method for producing same, and intermediate compound POLRMT, POLM, NSUN2 TK1 572/4885NT5M 4501/4885RNASE1 213/4885
US-20180251488-A1 CROSSLINKED NUCLEIC ACID GUNA, METHOD FOR PRODUCING SAME, AND INTERMEDIATE COMPOUND NSUN2, RNMT, POLRMT TK1 1806/4885NT5M 3308/4885RNASE1 291/4885

“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.

Send feedback