SCHEMBL15786368

SCHEMBL15786368

COc1ccc(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C[C@H]2OP(=O)(OCCC#N)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C[C@H]2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 6/20 0.42
▸ P2RY1 P47900 3/20 0.41
▸ P2RY2 P41231 1/20 0.41
▸ P2RY6 Q15077 1/20 0.41
▸ GAPDH P04406 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ENPP1 P22413 1/20 0.39

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
SCHEMBL15786369 0.88 P2RY12 (0.38) P2RY12P2RY1P2RY2P2RY6
SCHEMBL23953078 0.83 TYMP (0.41) P2RY12P2RY1
SCHEMBL11055621 0.81 P2RY12 (0.40) P2RY12POLB
SCHEMBL17860496 0.81 TYMP (0.42) P2RY12P2RY1P2RY2P2RY6
SCHEMBL4730470 0.81 TYMP (0.45) P2RY12GAPDH
SCHEMBL17860588 0.80 ADORA1 (0.40) P2RY12P2RY1P2RY2P2RY6POLB
SCHEMBL5694262 0.80 P2RY12 (0.37) P2RY12P2RY1P2RY2P2RY6
SCHEMBL21417334 0.79 TYMP (0.41) P2RY12P2RY1P2RY2P2RY6
SCHEMBL20341092 0.79 P2RY12 (0.39) P2RY12P2RY1P2RY2P2RY6
SCHEMBL21044306 0.79 TYMP (0.58) P2RY12

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-20140163037-A1 SCREENING METHODS FOR IDENTIFYING SPECIFIC STAPHYLOCOCCUS AUREUS INHIBITORS TRANA DISCOVERY, INC. (US) 2014-06-12 — — 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-20140163037-A1 SCREENING METHODS FOR IDENTIFYING SPECIFIC STAPHYLOCOCCUS AUREUS INHIBITORS NSUN3, RNGTT, TRMT1 P2RY12 4640/4885P2RY1 4734/4885P2RY2 4802/4885

“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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