SCHEMBL17501769

SCHEMBL17501769

CC1(C)O[C@H]2[C@H](COCc3ccccc3)[C@@H](O)[C@H](n3cnc4c(N)ncnc43)[C@H]2O1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHCY P23526 6/20 0.49
PI4KA P42356 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
HSPA5 P11021 1/20 0.46
ADORA1 P30542 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
P2RX1 P51575 1/20 0.43
P2RX3 P56373 1/20 0.43
P2RX4 Q99571 1/20 0.43
P2RY12 Q9H244 2/20 0.43
PDE2A O00408 1/20 0.43
P2RY2 P41231 1/20 0.43
ADORA2A P29274 1/20 0.43
NT5E P21589 1/20 0.43
DOT1L Q8TEK3 1/20 0.42

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
SCHEMBL10747082 1.00 AHCY (0.49) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL10747876 0.90 PI4KA (0.46) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL10748829 0.90 TYMP (0.44) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL17501748 0.84 AHCY (0.64) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL10749299 0.84 AHCY (0.64) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL10749310 0.84 AHCY (0.64) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL10747736 0.82 PI4KA (0.40) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL10747560 0.82 AHCY (0.66) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL21084884 0.81 PI4KA (0.48) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL17501728 0.81 PI4KA (0.48) AHCYPI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787478-B2 Enantiomers of the 1′,6′-isomer of neplanocin A AUBURN UNIVERSITY (US) 2020-09-29 US disclosed
US-20190202854-A1 ENANTIOMERS OF THE 1',6'-ISOMER OF NEPLANOCIN A AUBURN UNIVERSITY 2019-07-04 US disclosed
US-10227373-B2 Enantiomers of the 1′,6′-isomer of neplanocin A AUBURN UNIVERSITY (US) 2019-03-12 US disclosed
US-20170260223-A1 ENANTIOMERS OF THE 1',6'-ISOMER OF NEPLANOCIN A AUBURN UNIVERSITY 2017-09-14 US disclosed
EP-3177296-A1 ENANTIOMERS OF THE 1',6'-ISOMER OF NEPLANOCIN A Auburn University (US) 2017-06-14 EP disclosed
WO-2016022563-A1 ENANTIOMERS OF THE 1',6'-ISOMER OF NEPLANOCIN A AUBURN UNIVERSITY (US) 2016-02-11 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-10787478-B2 Enantiomers of the 1′,6′-isomer of neplanocin A NME2, NTPCR, SAMHD1 AHCY 32/4885PI4KA 4214/4885PI4K2B 4475/4885
US-10227373-B2 Enantiomers of the 1′,6′-isomer of neplanocin A NME2, NTPCR, SAMHD1 AHCY 32/4885PI4KA 4214/4885PI4K2B 4475/4885
US-20170260223-A1 ENANTIOMERS OF THE 1',6'-ISOMER OF NEPLANOCIN A NME2, NTPCR, SAMHD1 AHCY 32/4885PI4KA 4249/4885PI4K2B 4492/4885
US-20190202854-A1 ENANTIOMERS OF THE 1',6'-ISOMER OF NEPLANOCIN A NME2, NTPCR, SAMHD1 AHCY 32/4885PI4KA 4249/4885PI4K2B 4492/4885

“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.