SCHEMBL6835155

SCHEMBL6835155

COc1ccc(C(=O)N2CCC[C@@H]2COP(=O)(O[C@H]2C[C@H](n3cnc4c(=O)[nH]c(N)nc43)O[C@@H]2C(OC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C(=O)C(C)C)N(C(C)C)C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.36
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KRAS P01116 5/20 0.34
FUT5 Q11128 1/20 0.34
P2RY2 P41231 1/20 0.34
P2RY4 P51582 1/20 0.34
P2RY6 Q15077 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
HINT1 P49773 3/20 0.33
NT5E P21589 1/20 0.33
PNP P00491 1/20 0.33
F2 P00734 1/20 0.32
FUT6 P51993 1/20 0.32

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
SCHEMBL6834953 1.00 TYMP (0.36) TYMPHPGDPOLBTAAR1KRAS
SCHEMBL6835151 0.89 TYMP (0.36) TYMPHPGDTAAR1KRASTAS1R3
SCHEMBL6836526 0.89 TYMP (0.36) TYMPHPGDTAAR1KRASTAS1R3
SCHEMBL8006782 0.87 TAAR1 (0.39) TYMPHPGDPOLBTAAR1KRAS
SCHEMBL6831424 0.86 TYMP (0.36) TYMPHPGDPOLBTAAR1KRAS
SCHEMBL6831423 0.85 P2RX3 (0.36) TYMPPOLB
SCHEMBL6834949 0.85 P2RX3 (0.36) TYMPPOLB
SCHEMBL4339434 0.85 TYMP (0.37) TYMPHPGDPOLBTAAR1KRAS
SCHEMBL6833812 0.81 ST6GAL1 (0.34) POLB
SCHEMBL6831439 0.81 ST6GAL1 (0.34) POLB

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 TYMP 1/4885HPGD 3873/4885POLB 30/4885

“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.