SCHEMBL91058

SCHEMBL91058

CSOC[C@H]1O[C@@H](n2cnc3c(NCCCCNC(=O)C(F)(F)F)ncnc32)C2OC(C)(C)OC21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.46
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
SLC29A1 Q99808 1/20 0.45
P2RX3 P56373 2/20 0.45
P2RX1 P51575 1/20 0.45
P2RX4 Q99571 1/20 0.45
ADORA1 P30542 6/20 0.45
ADORA3 P0DMS8 2/20 0.45
P2RX2 Q9UBL9 1/20 0.42
DOT1L Q8TEK3 1/20 0.41
P2RY12 Q9H244 1/20 0.41

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
SCHEMBL91057 0.89 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBSLC29A1
SCHEMBL91052 0.88 SLC29A1 (0.58) SLC29A1P2RX3ADORA1ADORA3P2RX2
SCHEMBL10067434 0.79 RXFP1 (0.41) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL14365360 0.78 DOT1L (0.52) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL91049 0.75 RXFP1 (0.43) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL14344828 0.75 SLC29A1 (0.47) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL11267406 0.75 P2RX3 (0.65) SLC29A1P2RX3ADORA1ADORA3P2RX2
SCHEMBL67113 0.75 PI4KA (0.68) PI4KAPI4K2BPI4K2API4KBSLC29A1
SCHEMBL91055 0.75 PI4KA (0.68) PI4KAPI4K2BPI4K2API4KBSLC29A1
SCHEMBL19302803 0.74 RXFP1 (0.51) RXFP1PI4KAPI4K2BPI4K2API4KB

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 RXFP1 4742/4885PI4KA 4743/4885PI4K2B 4739/4885

“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.