SCHEMBL1895609

SCHEMBL1895609

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)nc(F)nc43)[C@H](F)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.60
NT5E P21589 15/20 0.56
PDE2A O00408 2/20 0.54
ADORA1 P30542 2/20 0.52

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
SCHEMBL1895610 1.00 TYMP (0.60) TYMPNT5EPDE2AADORA1
SCHEMBL12642132 0.95 TYMP (0.57) TYMPNT5EPDE2AADORA1
SCHEMBL7895839 0.94 TYMP (0.69) TYMPNT5EADORA1
SCHEMBL7615059 0.92 TYMP (0.59) TYMPNT5EADORA1
SCHEMBL7615063 0.92 TYMP (0.59) TYMPNT5EADORA1
SCHEMBL19949285 0.92 NT5E (0.67) NT5EPDE2A
SCHEMBL30262593 0.92 NT5E (0.67) NT5EPDE2A
SCHEMBL29799117 0.89 NT5E (0.65) TYMPNT5EADORA1
SCHEMBL7615396 0.89 TYMP (0.57) TYMPNT5EADORA1
SCHEMBL7615405 0.89 TYMP (0.57) TYMPNT5EADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257244-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES AND SMALL MOLECULES FOR USE IN REDUCING MICRO RNA ACTIVITY LEVELS AND USES THEREOF ALNYLAM PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-20110130440-A1 NON-NATURAL RIBONUCLEOTIDES, AND METHODS OF USE THEREOF ALNYLAM PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20110118339-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES AND USES THEREOF ALNYLAM PHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
US-20110065774-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES AND USES THEREOF ALNYLAM PHARMACEUTICALS (US) 2011-03-17 US disclosed
WO-2009120878-A2 NON-NATURAL RIBONUCLEOTIDES, AND METHODS OF USE THEREOF ALNYLAM PHARMACEUTICALS, INC. (US) 2009-10-01 WO disclosed
WO-2009091982-A1 MIR-122 AGONIST ALNYLAM PHARMACEUTICALS, INC. (US) 2009-07-23 WO disclosed
WO-2009091972-A2 CHEMICALLY MODIFIED OLIGONUCLEOTIDES AND SMALL MOLECULES FOR USE IN REDUCING MICRO RNA ACTIVITY LEVELS AND USES THEREOF ALNYLAM PHARMACEUTICALS, INC. (US) 2009-07-23 WO 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 (4 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-20110257244-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES AND SMALL MOLECULES FOR USE IN REDUCING MICRO RNA ACTIVITY LEVELS AND USES THEREOF AGO2, BCDIN3D, TRDMT1 TYMP 1431/4885NT5E 344/4885PDE2A 2864/4885
US-20110065774-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES AND USES THEREOF DCLRE1B, RNGTT, NSUN2 TYMP 88/4885NT5E 32/4885PDE2A 4258/4885
US-20110130440-A1 NON-NATURAL RIBONUCLEOTIDES, AND METHODS OF USE THEREOF NSUN2, RNMT, RNGTT TYMP 237/4885NT5E 40/4885PDE2A 3058/4885
US-20110118339-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES AND USES THEREOF TRDMT1, NSUN3, BCDIN3D TYMP 326/4885NT5E 38/4885PDE2A 4029/4885

“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.