SCHEMBL21401315

SCHEMBL21401315

COc1ccc(C(SC[C@]23CO[C@@H](C2O)[C@H](n2cnc4c(=O)[nH]c(/N=C/N(C)C)nc42)O3)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 3/20 0.39
▸ HPGD P15428 1/20 0.36
▸ IMPDH2 P12268 2/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ IMPDH1 P20839 1/20 0.31
▸ NT5E P21589 1/20 0.30
▸ TAAR1 Q96RJ0 1/20 0.30
▸ ANPEP P15144 2/20 0.30
▸ NPEPPS P55786 1/20 0.30

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
SCHEMBL19820358 1.00 TYMP (0.39) TYMPHPGDIMPDH2ADORA3IMPDH1
SCHEMBL19814139 1.00 TYMP (0.39) TYMPHPGDIMPDH2ADORA3IMPDH1
SCHEMBL22556252 0.90 TYMP (0.45) TYMPHPGDIMPDH2ADORA3IMPDH1
SCHEMBL22556249 0.90 TYMP (0.45) TYMPHPGDIMPDH2ADORA3IMPDH1
SCHEMBL22594612 0.90 TYMP (0.45) TYMPHPGDIMPDH2ADORA3IMPDH1
SCHEMBL31359570 0.90 TYMP (0.45) TYMPHPGDIMPDH2ADORA3IMPDH1
SCHEMBL19825234 0.89 TYMP (0.37) TYMPHPGDIMPDH2IMPDH1
SCHEMBL19814791 0.83 TAAR1 (0.34) HPGDIMPDH2ADORA3NT5ETAAR1
SCHEMBL19814794 0.83 TAAR1 (0.34) HPGDIMPDH2ADORA3NT5ETAAR1
SCHEMBL19817402 0.83 TYMP (0.30) TYMP

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-20190292213-A1 5`S-LNA nucleotides and oligonucleotides F. HOFFMANN-LA ROCHE AG (CH) 2019-09-26 — — 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-20190292213-A1 5`S-LNA nucleotides and oligonucleotides DHFR, NSUN3, NSUN2 TYMP 21/4885HPGD 4391/4885IMPDH2 560/4885

“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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