SCHEMBL7790217

SCHEMBL7790217

OC[C@H]1O[C@@H](n2cnc3c2N=CNCC3O)C(F)[C@H]1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 5/20 0.55
AMPD3 Q01432 2/20 0.47
ADORA3 P0DMS8 3/20 0.45
ADORA1 P30542 3/20 0.45
ADORA2A P29274 2/20 0.45
PDE2A O00408 1/20 0.45
ADRA1A P35348 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3A Q14432 1/20 0.45
CDA P32320 1/20 0.41
CD99 P14209 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
BLM P54132 2/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
DNMT1 P26358 1/20 0.37
THPO P40225 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
SCHEMBL8371414 1.00 ADA (0.55) ADAAMPD3ADORA3ADORA1ADORA2A
Coformycin SCHEMBL13697497 0.90 ADA (0.68) ADAAMPD3ADORA3ADORA1ALDH1A1
Coformycin SCHEMBL442534 0.90 ADA (0.68) ADAAMPD3ADORA3ADORA1ALDH1A1
Coformycin SCHEMBL8373037 0.90 ADA (0.68) ADAAMPD3ADORA3ADORA1ALDH1A1
Coformycin SCHEMBL7796895 0.90 ADA (0.68) ADAAMPD3ADORA3ADORA1ALDH1A1
Coformycin SCHEMBL13697294 0.90 ADA (0.68) ADAAMPD3ADORA3ADORA1ALDH1A1
SCHEMBL10705678 0.87 ADA (0.55) ADAAMPD3ADORA3ADORA1ADORA2A
SCHEMBL10792647 0.87 ADA (0.55) ADAAMPD3ADORA3ADORA1ADORA2A
SCHEMBL13111762 0.80 ADA (0.58) ADAAMPD3ADORA3ADORA1ALDH1A1
SCHEMBL8518998 0.80 CDA (0.43) ADAAMPD3ADORA3ADORA1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261666-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MYOCARDIAL DYSFUNCTION ASSOCIATED WITH SIRS OR SEPSIS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-10-14 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-20100261666-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MYOCARDIAL DYSFUNCTION ASSOCIATED WITH SIRS OR SEPSIS ADA, XDH, PNP ADA 1/4885AMPD3 20/4885ADORA3 349/4885

“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.