SCHEMBL6731355

SCHEMBL6731355

COc1ccc(C(OC(C(=O)C(C)C)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C[C@@H]2OP(OCCOc2ccccc2OC(C)=O)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.36
HPGD P15428 1/20 0.35
TAAR1 Q96RJ0 2/20 0.35
HINT1 P49773 9/20 0.33
POLB P06746 1/20 0.32
GSK3A P49840 1/20 0.32
RPS6KA3 P51812 1/20 0.32
MAPK14 Q16539 1/20 0.32
KDM4E B2RXH2 1/20 0.31
XDH P47989 1/20 0.31

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
SCHEMBL5408372 0.90 TYMP (0.37) TYMPHPGDTAAR1HINT1POLB
SCHEMBL6316021 0.90 TYMP (0.39) TYMPHPGDTAAR1HINT1POLB
SCHEMBL6231468 0.90 TAAR1 (0.37) TYMPHPGDTAAR1HINT1POLB
SCHEMBL6735187 0.83 TRDMT1 (0.34) TYMP
SCHEMBL6730011 0.81 POLB (0.30) POLB
SCHEMBL6835146 0.80 TYMP (0.45) TYMPHPGDTAAR1HINT1POLB
SCHEMBL8006782 0.79 TAAR1 (0.39) TYMPHPGDTAAR1HINT1POLB
SCHEMBL4339434 0.78 TYMP (0.37) TYMPHPGDTAAR1HINT1POLB
SCHEMBL6234136 0.78 TAAR1 (0.39) TYMPHPGDTAAR1HINT1
SCHEMBL6831424 0.78 TYMP (0.36) TYMPHPGDTAAR1HINT1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677471-B2 USED FOR PREPARATION OF OLIGOMERIC COMPOUNDS HAVING PHOSPHITE, PHOSPHODIESTER, PHOSPHOROTHIOATE, PHOSPHORODITHIOATE OR OTHER LINKAGES ISIS PHARMACEUTICALS, INC. 2004-01-13 US disclosed
US-20030149260-A1 Process for the synthesis of oligomeric compounds ISIS PHARMACEUTICALS, INC. 2003-08-07 US disclosed
US-6521775-B2 Genetically engineered oligonucleotides for use as diagnostic and therapeutic tools in gene therapy ISIS PHARMACEUTICALS, INC. 2003-02-18 US disclosed
US-20020055623-A1 Process for the synthesis of oligomeric compounds ISIS PHARMACEUTICALS. INC. 2002-05-09 US disclosed
US-6326478-B1 OLIGONUCLEOTIDES AND MEDICAL DIAGNOSIS, METABOLISM ISIS PHARMACEUTICALS, INC. 2001-12-04 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-20020055623-A1 Process for the synthesis of oligomeric compounds PPIP5K2, FDPS, GGPS1 TYMP 44/4885HPGD 1186/4885TAAR1 4468/4885
US-20030149260-A1 Process for the synthesis of oligomeric compounds PPIP5K2, FDPS, GGPS1 TYMP 44/4885HPGD 1186/4885TAAR1 4468/4885

“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.