SCHEMBL5216686

SCHEMBL5216686

COCCO[C@H]1[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1COC(=O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 6/20 0.46
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
PNP P00491 1/20 0.41
GSK3A P49840 2/20 0.41
RPS6KA3 P51812 2/20 0.41
MAPK14 Q16539 2/20 0.41
NT5E P21589 1/20 0.40
KRAS P01116 7/20 0.40
HPGD P15428 1/20 0.39
TGM2 P21980 1/20 0.38

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
SCHEMBL2365649 0.89 HINT1 (0.45) HINT1TAS1R3TAS1R1PNPGSK3A
SCHEMBL6243042 0.86 HINT1 (0.50) HINT1TAS1R3TAS1R1PNPGSK3A
SCHEMBL14896399 0.82 HINT1 (0.49) HINT1TAS1R3TAS1R1PNPGSK3A
SCHEMBL6242507 0.82 HINT1 (0.50) HINT1TAS1R3TAS1R1PNPGSK3A
SCHEMBL5663210 0.81 HINT1 (0.61) HINT1TAS1R3TAS1R1PNPGSK3A
SCHEMBL1919142 0.81 HINT1 (0.59) HINT1PNPGSK3ARPS6KA3MAPK14
SCHEMBL6242581 0.80 HINT1 (0.48) HINT1TAS1R3TAS1R1PNPGSK3A
SCHEMBL22335430 0.80 KDM4E (0.46) HINT1TAS1R3TAS1R1NT5EKRAS
SCHEMBL6241689 0.80 HINT1 (0.48) HINT1TAS1R3TAS1R1PNPGSK3A
SCHEMBL1344477 0.78 HINT1 (0.40) HINT1TAS1R3TAS1R1PNPGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070292875-A1 Human RNase H1 oligonucleotide compositions thereof ISIS PHARMACEUTICALS, INC. (US) 2007-12-20 US disclosed
EP-1743901-A2 Oligonucleotides having A-DNA or B-DNA form ISIS PHARMACEUTICALS, INC. (US) 2007-01-17 EP disclosed
US-7119184-B2 Oligonucleotides having A-DNA form and B-DNA form conformational geometry ISIS PHARMACEUTICALS, INC. (US) 2006-10-10 US disclosed
EP-1222309-B1 HUMAN RNASE H AND OLIGONUCLEOTIDE COMPOSITIONS THEREOF ISIS PHARMACEUTICALS INC (US) 2005-12-07 EP disclosed
US-20040102618-A1 Human RNase H1 and oligonucleotide compositions thereof ISIS PHARMACEUTICALS, INC. 2004-05-27 US disclosed
US-6737520-B2 FOR USE AS SUBSTRATE FOR RIBONUCLEASE AND CONTROLLING BINDING AFFINITY/NUCLEASE RESISTANCE ISIS PHARMACEUTICALS, INC. 2004-05-18 US disclosed
US-6617442-B1 Divided into two portions, one of which supports cleavage of target RNA; use in enhancing antisense therapies ISIS PHARMACEUTICALS, INC. 2003-09-09 US disclosed
US-20030105311-A1 Oligonucleotides having A-DNA form and B-DNA form conformational geometry ISIS PHARMACEUTICALS, INC. 2003-06-05 US disclosed
US-20030096979-A1 Oligonucleotides having A-DNA form and B-DNA form conformational geometry ISIS PHARMACEUTICALS, INC. 2003-05-22 US disclosed
US-6369209-B1 AFFINITY AND NUCLEASE RESISTANCE WHILE CONCURRENTLY SERVING AS SUBSTRATES FOR RNASE H WHEN BOUND TO A TARGET RNA STRAND ISIS PHARMACEUTICALS, INC. 2002-04-09 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 (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-20030105311-A1 Oligonucleotides having A-DNA form and B-DNA form conformational geometry RNGTT, RNASEH1, ADAR HINT1 136/4885TAS1R3 3873/4885TAS1R1 4114/4885
US-20070292875-A1 Human RNase H1 oligonucleotide compositions thereof RNASEH1, RNASE1, RNASEL HINT1 309/4885TAS1R3 4452/4885TAS1R1 4469/4885
US-20030096979-A1 Oligonucleotides having A-DNA form and B-DNA form conformational geometry RNGTT, RNASEH1, ADAR HINT1 136/4885TAS1R3 3873/4885TAS1R1 4114/4885
US-20040102618-A1 Human RNase H1 and oligonucleotide compositions thereof RNASEH1, RNASE1, RNASEL HINT1 281/4885TAS1R3 4453/4885TAS1R1 4454/4885

“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.