SCHEMBL406298

SCHEMBL406298

CC(C)(C)OC(=O)N[C@H](CO)Cc1cncn1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
ACE P12821 1/20 0.35
CYP3A4 P08684 5/20 0.35
MAPK1 P28482 1/20 0.35
AAK1 Q2M2I8 4/20 0.34
SYK P43405 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
APP P05067 1/20 0.32
CTSS P25774 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL406294 0.86 ATM (0.35) ATMACECYP3A4AAK1SYK
SCHEMBL13811785 0.84 ACE (0.36) ATMACECYP3A4CA1CA2
SCHEMBL6957298 0.83 ACE (0.50) ACEMAPK1CTSS
SCHEMBL22403247 0.83 ACE (0.40) ACECTSS
SCHEMBL6950805 0.83 ACE (0.50) ACEMAPK1CTSS
SCHEMBL8054432 0.79 CTSS (0.40) ACECTSS
SCHEMBL4149607 0.78 PIM1 (0.37)
SCHEMBL8312657 0.75 GPR119 (0.36)
SCHEMBL16819882 0.75 ACE (0.47) ATMACECYP3A4MAPK1
SCHEMBL15426849 0.75 ACE (0.47) ATMACECYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012035346-A1 PRODRUGS OF GUANFACINE SHIRE, LLC (US) 2012-03-22 WO disclosed
US-20120065152-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-03-15 US disclosed
US-20120065152-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-03-15 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-20120065152-A1 PRODRUGS OF GUANFACINE UGT1A6, GDA, UGT1A3 ATM 3696/4885ACE 129/4885CYP3A4 203/4885

“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.