SCHEMBL6831440

SCHEMBL6831440

COCCO[C@@H]1[C@H](O)[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 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.48
TAAR1 Q96RJ0 2/20 0.47
HPGD P15428 1/20 0.45
HINT1 P49773 5/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
GSK3A P49840 2/20 0.42
RPS6KA3 P51812 2/20 0.42
MAPK14 Q16539 2/20 0.42
KRAS P01116 6/20 0.41
NT5E P21589 1/20 0.40

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
SCHEMBL17599828 0.93 TYMP (0.49) TYMPTAAR1HPGDHINT1TAS1R3
SCHEMBL16401878 0.89 TYMP (0.49) TYMPTAAR1HPGDHINT1GSK3A
SCHEMBL6231869 0.87 TAAR1 (0.41) TYMPTAAR1HPGDHINT1TAS1R3
SCHEMBL10446715 0.86 TYMP (0.44) TYMPTAAR1HPGDHINT1TAS1R3
SCHEMBL6234136 0.85 TAAR1 (0.39) TYMPTAAR1HPGDHINT1TAS1R3
SCHEMBL2108532 0.85 TYMP (0.54) TYMPTAAR1HPGDHINT1GSK3A
SCHEMBL16242934 0.84 TAAR1 (0.40) TYMPTAAR1HPGDHINT1TAS1R3
SCHEMBL9320640 0.84 TAAR1 (0.44) TYMPTAAR1HPGDHINT1TAS1R3
SCHEMBL16401489 0.84 TYMP (0.48) TYMPTAAR1HPGDHINT1TAS1R3
SCHEMBL2107702 0.84 TYMP (0.44) TYMPTAAR1HPGDHINT1TAS1R3

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 2 patents. 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
US-6610837-B1 Preparation of an oligonucleotide compound of given formula by reacting with given compounds, followed by oxidation or sulfurization ISIS PHARMACEUTICALS, INC. 2003-08-26 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.