SCHEMBL6744875

SCHEMBL6744875

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 3/20 0.59
MARS1 P56192 1/20 0.59
ADORA1 P30542 3/20 0.58
P2RY1 P47900 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
SRC P12931 2/20 0.58
P2RY2 P41231 2/20 0.58
DNPH1 O43598 1/20 0.58
PRKAB2 O43741 1/20 0.58
TRPM2 O94759 1/20 0.58
LDHA P00338 1/20 0.58
ADRB2 P07550 1/20 0.58
FBP1 P09467 1/20 0.58
PRKAG1 P54619 1/20 0.58
PRKAA2 P54646 1/20 0.58
PDE4D Q08499 1/20 0.58
KCNH2 Q12809 1/20 0.58
PRKAA1 Q13131 1/20 0.58
PDE3A Q14432 1/20 0.58
TAS1R3 Q7RTX0 1/20 0.58

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
SCHEMBL10587115 1.00 AHCY (0.59) AHCYMARS1ADORA1P2RY1SMN1; SMN2
SCHEMBL19889158 0.92 ALDH1A1 (0.65) AHCYMARS1ADORA1P2RY1SMN1; SMN2
SCHEMBL8205660 0.92 ALDH1A1 (0.65) AHCYMARS1ADORA1P2RY1SMN1; SMN2
SCHEMBL31685764 0.92 ALDH1A1 (0.65) AHCYMARS1ADORA1P2RY1SMN1; SMN2
SCHEMBL10033986 0.92 ALDH1A1 (0.65) AHCYMARS1ADORA1P2RY1SMN1; SMN2
SCHEMBL23982402 0.92 ALDH1A1 (0.65) AHCYMARS1ADORA1P2RY1SMN1; SMN2
SCHEMBL11423681 0.92 ALDH1A1 (0.65) AHCYMARS1ADORA1P2RY1SMN1; SMN2
SCHEMBL13597931 0.92 ALDH1A1 (0.65) AHCYMARS1ADORA1P2RY1SMN1; SMN2
SCHEMBL4425824 0.92 ALDH1A1 (0.65) AHCYMARS1ADORA1P2RY1SMN1; SMN2
SCHEMBL5551928 0.90 ADORA3 (0.69) AHCYADORA1P2RY1SMN1; SMN2SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699979-B2 PREPARED VIA A STEREOSPECIFIC SN2 NUCLEOPHILIC ATTACK OF A PHOSPHODIESTER, OR PHOSPHOROTHIOATE, ON THE 3' POSITION OF A XYLONUCLEOTIDE; USEFUL IN ANTISENSE OR PROBE TECHNOLOGY ISIS PHARMACEUTICALS, INC. 2004-03-02 US disclosed
US-6500945-B2 BIOSYNTHESIS; STEREOSPECIFIC ISIS PHARMACEUTICALS, INC. 2002-12-31 US disclosed
US-20020137921-A1 Oligonucleotides having chiral phosphorus linkages COOK PHILLIP DAN (US) 2002-09-26 US disclosed
EP-0755255-A4 TREATMENT OF TOXOPLASMOSIS RES CORP TECHNOLOGIES INC (US) 2002-07-24 EP disclosed
EP-0655088-B1 OLIGONUCLEOTIDES HAVING CHIRAL PHOSPHORUS LINKAGES ISIS PHARMACEUTICALS INC (US) 2002-07-24 EP disclosed
US-20010008936-A1 Oligonucleotides having chiral phosphorus linkages ISIS PHARMACEUTICALS, INC. 2001-07-19 US disclosed
US-6239265-B1 FOR RESEARCH AND DIAGNOSIS ISIS PHARMACEUTICALS, INC. 2001-05-29 US disclosed
US-5852188-A Oligonucleotides having chiral phosphorus linkages ISIS PHARMACEUTICALS, INC. (US) 1998-12-22 US disclosed
US-5773424-A PARASITICIDE RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-06-30 US disclosed
EP-0755255-A1 TREATMENT OF TOXOPLASMOSIS UNIVERSITY OF ALABAMA, BIRMINGHAM RESEARCH FOUNDATION (US) 1997-01-29 EP disclosed
WO-1996018398-A1 TREATMENT OF TOXOPLASMOSIS THE UNIVERSITY OF ALABAMA AT BIRMINGHAM RESEARCH FOUNDATION (US) 1996-06-20 WO disclosed
US-5521302-A NUCLEOPHILIC REACTION OF PHOSPHATE GROUPS ISIS PHARMACEUTICALS, INC. (US) 1996-05-28 US disclosed
EP-0655088-A1 OLIGONUCLEOTIDES HAVING CHIRAL PHOSPHORUS LINKAGES ISIS PHARMACEUTICALS, INC. (US) 1995-05-31 EP disclosed
US-5212295-A Monomers for preparation of oligonucleotides having chiral phosphorus linkages ISIS PHARMACEUTICALS (US) 1993-05-18 US disclosed
WO-1993008296-A1 OLIGONUCLEOTIDES HAVING CHIRAL PHOSPHORUS LINKAGES ISIS PHARMACEUTICALS, INC. (US) 1993-04-29 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 (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-20020137921-A1 Oligonucleotides having chiral phosphorus linkages RNGTT, PNP, PSPH AHCY 3532/4885MARS1 880/4885ADORA1 838/4885
US-20010008936-A1 Oligonucleotides having chiral phosphorus linkages RNGTT, PNP, PSPH AHCY 3532/4885MARS1 880/4885ADORA1 838/4885

“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.