SCHEMBL6835151

SCHEMBL6835151

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)C(C)C)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
HPGD P15428 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
KRAS P01116 13/20 0.35
HINT1 P49773 2/20 0.34
NT5E P21589 1/20 0.34

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
SCHEMBL6836526 1.00 TYMP (0.36) TYMPTAAR1HPGDTAS1R3TAS1R1
SCHEMBL6835155 0.89 TYMP (0.36) TYMPTAAR1HPGDTAS1R3TAS1R1
SCHEMBL6834953 0.89 TYMP (0.36) TYMPTAAR1HPGDTAS1R3TAS1R1
SCHEMBL6835157 0.85 P2RX3 (0.37) TYMP
SCHEMBL6834950 0.85 P2RX3 (0.37) TYMP
SCHEMBL6835037 0.82 ST6GAL1 (0.35)
SCHEMBL6833762 0.82 ST6GAL1 (0.35)
SCHEMBL6831440 0.81 TYMP (0.48) TYMPTAAR1HPGDTAS1R3TAS1R1
SCHEMBL6231869 0.80 TAAR1 (0.41) TYMPTAAR1HPGDTAS1R3TAS1R1
SCHEMBL6234136 0.78 TAAR1 (0.39) TYMPTAAR1HPGDTAS1R3TAS1R1

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 1/4885TAAR1 4605/4885HPGD 3873/4885

“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.