SCHEMBL6835157

SCHEMBL6835157

COCCO[C@@H]1[C@H](OP(=O)(OC[C@H]2CCCN2C(=O)c2ccc(OC)cc2)N(C(C)C)C(C)C)[C@@H](C(OC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C(=O)c2ccccc2)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.37
P2RX4 Q99571 2/20 0.37
P2RX2 Q9UBL9 2/20 0.37
ENPP1 P22413 1/20 0.35
P2RX6 O15547 1/20 0.35
P2RX1 P51575 1/20 0.35
P2RX5 Q93086 1/20 0.35
P2RY11 Q96G91 1/20 0.35
P2RX7 Q99572 1/20 0.35
DOT1L Q8TEK3 1/20 0.34
TRDMT1 O14717 1/20 0.34
CARM1 Q86X55 1/20 0.34
TYMP P19971 1/20 0.33
ADORA1 P30542 2/20 0.33

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
SCHEMBL6834950 1.00 P2RX3 (0.37) P2RX3P2RX4P2RX2ENPP1P2RX6
SCHEMBL6834949 0.88 P2RX3 (0.36) P2RX3P2RX4P2RX2ENPP1P2RX6
SCHEMBL6831423 0.88 P2RX3 (0.36) P2RX3P2RX4P2RX2ENPP1P2RX6
SCHEMBL6833762 0.87 ST6GAL1 (0.35)
SCHEMBL6835037 0.87 ST6GAL1 (0.35)
SCHEMBL6834851 0.86 P2RX3 (0.38) P2RX3P2RX4P2RX2ENPP1P2RX6
SCHEMBL6836526 0.85 TYMP (0.36) TYMP
SCHEMBL6835151 0.85 TYMP (0.36) TYMP
SCHEMBL6835045 0.80 ADORA1 (0.45) P2RX3P2RX4P2RX2ENPP1P2RX6
SCHEMBL7266107 0.80 ADORA1 (0.47) ENPP1DOT1LTRDMT1CARM1TYMP

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-20040082774-A1 Novel phosphate and thiophosphate protecting groups ISIS PHARMACEUTICALS, INC. 2004-04-29 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-20040082774-A1 Novel phosphate and thiophosphate protecting groups TYMP, MTAP, PPIP5K2 P2RX3 447/4885P2RX4 633/4885P2RX2 636/4885

“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.