SCHEMBL91052

SCHEMBL91052

CSOC[C@H]1O[C@@H](n2cnc3c(NCCCCNC(=O)C(F)(F)F)ncnc32)C(O)C1O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.58
ADORA1 P30542 10/20 0.55
ADORA3 P0DMS8 5/20 0.55
P2RX3 P56373 1/20 0.55
P2RX2 Q9UBL9 1/20 0.55
ADORA2A P29274 3/20 0.52
DOT1L Q8TEK3 1/20 0.52
ADORA2B P29275 1/20 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
SCHEMBL91058 0.88 RXFP1 (0.46) SLC29A1ADORA1ADORA3P2RX3P2RX2
SCHEMBL11267406 0.87 P2RX3 (0.65) SLC29A1ADORA1ADORA3P2RX3P2RX2
SCHEMBL14853952 0.84 SLC29A1 (0.64) SLC29A1ADORA1ADORA3ADORA2A
SCHEMBL14946385 0.84 SLC29A1 (0.64) SLC29A1ADORA1ADORA3ADORA2A
SCHEMBL14946384 0.83 P2RX3 (0.58) SLC29A1ADORA1ADORA3P2RX3P2RX2
SCHEMBL14929351 0.83 P2RX3 (0.58) SLC29A1ADORA1ADORA3P2RX3P2RX2
SCHEMBL2472334 0.81 SLC29A1 (0.58) SLC29A1ADORA1ADORA3P2RX3P2RX2
SCHEMBL14929323 0.80 P2RX3 (0.73) P2RX3P2RX2
SCHEMBL14946398 0.80 P2RX3 (0.73) P2RX3P2RX2
Imidazole SCHEMBL11397091 0.80 P2RX3 (0.56) SLC29A1ADORA1ADORA3P2RX3P2RX2

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-8129106-B2 Sequence-specific detection of methylation in biomolecules Max-Planck-Geselischaft zur Forderung der Wissenschaften E.V. (DE) 2012-03-06 US disclosed
US-20110165564-A1 SEQUENCE-SPECIFIC DETECTION OF METHYLATION IN BIOMOLECULES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2011-07-07 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-20110165564-A1 SEQUENCE-SPECIFIC DETECTION OF METHYLATION IN BIOMOLECULES DNMT1, MAT2B, AHCY SLC29A1 804/4885ADORA1 1194/4885ADORA3 1214/4885

“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.