SCHEMBL21031870

SCHEMBL21031870

COC1(C)C(C)(O)[C@@](C)(CO)O[C@@]1(C)n1cnc2c(N)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.59
TAS1R1 Q7RTX1 2/20 0.59
GMPS P49915 1/20 0.47
PI4KA P42356 4/20 0.44
PI4K2B Q8TCG2 4/20 0.44
PI4K2A Q9BTU6 4/20 0.44
PI4KB Q9UBF8 4/20 0.44
SLC28A1 O00337 1/20 0.42
ADORA2A P29274 7/20 0.41
ADORA3 P0DMS8 3/20 0.40
ADORA1 P30542 3/20 0.39
AHCY P23526 3/20 0.39
ADORA2B P29275 1/20 0.37

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
SCHEMBL26972744 0.80 TAS1R3 (0.59) TAS1R3TAS1R1GMPSPI4KAPI4K2B
SCHEMBL14162591 0.80 TAS1R3 (0.55) TAS1R3TAS1R1GMPSPI4KAPI4K2B
SCHEMBL26972747 0.79 TAS1R3 (0.58) TAS1R3TAS1R1GMPSPI4KAPI4K2B
SCHEMBL26972743 0.78 TAS1R3 (0.71) TAS1R3TAS1R1GMPSPI4KAPI4K2B
SCHEMBL24059938 0.74 TAS1R3 (1.00) TAS1R3TAS1R1GMPSPI4KAPI4K2B
SCHEMBL20277482 0.74 TAS1R3 (1.00) TAS1R3TAS1R1GMPSPI4KAPI4K2B
SCHEMBL20673335 0.74 TAS1R3 (0.81) TAS1R3TAS1R1PI4KAPI4K2BPI4K2A
SCHEMBL12987542 0.72 ADORA2A (0.51) TAS1R3TAS1R1GMPSPI4KAPI4K2B
SCHEMBL10294620 0.71 TAS1R3 (0.74) TAS1R3TAS1R1
SCHEMBL8087444 0.70 GMPS (0.53) TAS1R3TAS1R1GMPSPI4KAPI4K2B

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-20200392502-A1 COMPOSITIONS AND METHODS FOR INHIBITING FACTOR D CALW INVESTMENT CO. INC. (CA) 2020-12-17 US disclosed
US-20190161755-A1 COMPOSITIONS AND METHODS FOR INHIBITING FACTOR D CALW INVESTMENT CO. INC. (CA) 2019-05-30 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 (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-20200392502-A1 COMPOSITIONS AND METHODS FOR INHIBITING FACTOR D CFD, CFH, CFB TAS1R3 1537/4885TAS1R1 1669/4885GMPS 3107/4885
US-20190161755-A1 COMPOSITIONS AND METHODS FOR INHIBITING FACTOR D CFD, CFH, CFB TAS1R3 1537/4885TAS1R1 1669/4885GMPS 3107/4885

“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.