SCHEMBL14063335

SCHEMBL14063335

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)CC2O[PH](=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 4/20 0.45
▸ P2RY12 Q9H244 3/20 0.40
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ GAPDH P04406 1/20 0.38

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
SCHEMBL14062513 1.00 TYMP (0.45) TYMPP2RY12ADORA2AADORA2BGAPDH
SCHEMBL16578337 1.00 TYMP (0.45) TYMPP2RY12ADORA2AADORA2BGAPDH
SCHEMBL3822659 0.92 TYMP (0.47) TYMPP2RY12ADORA2AADORA2B
SCHEMBL21577261 0.90 TYMP (0.46) TYMPP2RY12ADORA2AADORA2B
SCHEMBL21043925 0.90 TYMP (0.48) TYMPP2RY12ADORA2AADORA2B
SCHEMBL16310642 0.89 TYMP (0.45) TYMPP2RY12
SCHEMBL17911711 0.89 TYMP (0.45) TYMPP2RY12ADORA2AADORA2B
SCHEMBL22984001 0.89 TYMP (0.58) TYMPP2RY12
SCHEMBL21044306 0.89 TYMP (0.58) TYMPP2RY12
SCHEMBL3824088 0.89 TYMP (0.58) TYMPP2RY12

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-20080221303-A1 Method for the Preparation of Peptide-Oligonucleotide Conjugates FRUTAROM LTD. (IL) 2008-09-11 — — 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-20080221303-A1 Method for the Preparation of Peptide-Oligonucleotide Conjugates VIP, PTMS, SSTR4 TYMP 232/4885P2RY12 3754/4885ADORA2A 4308/4885

“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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