SCHEMBL14185067

SCHEMBL14185067

Nc1ccn(C2O[C@H](COP(=O)(O)OCc3ccccc3)[C@@H](O)[C@@H]2O)c(=O)n1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 8/20 0.67
P2RY2 P41231 7/20 0.67
P2RY4 P51582 6/20 0.67
ST6GAL1 P15907 3/20 0.65
LMNA P02545 1/20 0.59
THRB P10828 1/20 0.59
MTOR P42345 1/20 0.59
MDM2 Q00987 1/20 0.59
NCOA1 Q15788 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
TSHR P16473 1/20 0.59
GLA P06280 1/20 0.59

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
SCHEMBL11611645 0.92 P2RY2 (0.75) P2RY6P2RY2P2RY4ST6GAL1LMNA
SCHEMBL29369985 0.87 P2RY2 (0.84) P2RY6P2RY2P2RY4LMNATHRB
SCHEMBL9237104 0.86 ST6GAL1 (0.65) P2RY6P2RY2P2RY4ST6GAL1LMNA
SCHEMBL11034833 0.86 P2RY2 (0.68) P2RY6P2RY2P2RY4ST6GAL1LMNA
SCHEMBL25070751 0.86 P2RY2 (0.70) P2RY6P2RY2P2RY4ST6GAL1LMNA
SCHEMBL39904 0.86 P2RY2 (0.76) P2RY6P2RY2P2RY4
SCHEMBL154172 0.86 P2RY2 (0.76) P2RY6P2RY2P2RY4
SCHEMBL532547 0.86 P2RY2 (0.76) P2RY6P2RY2P2RY4
SCHEMBL25070737 0.86 P2RY2 (0.70) P2RY6P2RY2P2RY4ST6GAL1LMNA
SCHEMBL13135198 0.86 P2RY2 (0.70) P2RY6P2RY2P2RY4ST6GAL1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103110-A1 Compounds DRUG DISCOVERY LABORATORY AS (NO) 2008-05-01 US disclosed
US-20080103110-A1 Compounds DRUG DISCOVERY LABORATORY AS (NO) 2008-05-01 US disclosed
US-20070259889-A1 Protein Binding Compounds DRUG DISCOVERY LABORATORY AS (NO) 2007-11-08 US disclosed
US-20070259889-A1 Protein Binding Compounds DRUG DISCOVERY LABORATORY AS (NO) 2007-11-08 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 (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-20070259889-A1 Protein Binding Compounds FABP1, FABP3, FABP2 P2RY6 3347/4885P2RY2 4215/4885P2RY4 4431/4885
US-20080103110-A1 Compounds ATIC, CDA, PAICS P2RY6 481/4885P2RY2 1774/4885P2RY4 991/4885

“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.