SCHEMBL13897137

SCHEMBL13897137

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccc(CNC(=O)COC(=O)CCCN(C)C(=O)OCC6c7ccccc7-c7ccccc76)cc5)ncnc43)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 2/20 0.40
▸ ADORA3 P0DMS8 2/20 0.36
▸ ADORA2B P29275 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ SLC29A1 Q99808 1/20 0.35
▸ DOT1L Q8TEK3 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 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
SCHEMBL12724731 1.00 TYMP (0.40) TYMPADORA3ADORA2BADORA1SLC29A1
SCHEMBL16023740 0.92 TYMP (0.43) TYMPADORA3ADORA2BADORA1SLC29A1
SCHEMBL12725200 0.90 TYMP (0.37) TYMPALDH1A1LMNA
SCHEMBL13360829 0.89 TYMP (0.47) TYMP
SCHEMBL13329961 0.89 TYMP (0.47) TYMP
SCHEMBL13213491 0.88 ADORA3 (0.32) TYMPADORA3ADORA2BADORA1DOT1L
SCHEMBL13213498 0.88 TYMP (0.35) TYMPADORA3ADORA2BADORA1
SCHEMBL13213490 0.88 TYMP (0.35) TYMP
SCHEMBL12724727 0.87 TYMP (0.46) TYMPADORA1SLC29A1
SCHEMBL13930532 0.87 TYMP (0.46) TYMPADORA1SLC29A1

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-20090062521-A1 AMIDITE FOR SYNTHESIZING MODIFIED NUCLEIC ACID AND METHOD FOR SYNTHESIZING MODIFIED NUCLEIC ACID FUJITSU LIMITED (JP) 2009-03-05 — — 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-20090062521-A1 AMIDITE FOR SYNTHESIZING MODIFIED NUCLEIC ACID AND METHOD FOR SYNTHESIZING MODIFIED NUCLEIC ACID NSUN2, RNMT, ADAR TYMP 718/4885ADORA3 825/4885ADORA2B 484/4885

“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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