SCHEMBL3560477

SCHEMBL3560477

Cc1ccsc1-c1cn(CCCO[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DUT P33316 4/20 0.53
TK2 O00142 11/20 0.40
TK1 P04183 1/20 0.38
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
TYMP P19971 1/20 0.32
TOP2A P11388 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
SCHEMBL4664429 0.97 DUT (0.49) DUTTK2TK1MAPTCYP2C9
SCHEMBL13314163 0.81 ALDH1A1 (0.43) TK2TK1MAPTCYP2C9KMT2A
SCHEMBL13314164 0.80 CYP1A2 (0.48) TK2TK1MAPTCYP2C9KMT2A
SCHEMBL3559057 0.79 CYP2C9 (0.42) TK2TK1MAPTCYP2C9KMT2A
SCHEMBL3565020 0.78 TK2 (0.37) TK2TK1MAPTCYP2C9KMT2A
SCHEMBL3557780 0.75 MAPK1 (0.35) TK2TK1TYMP
SCHEMBL19181080 0.73 TYMP (0.52) DUTTK2TK1TYMP
SCHEMBL3566318 0.73 DUT (0.58) DUTTK2TK1MAPTCYP2C9
SCHEMBL9354252 0.71 DUT (0.55) DUTTK2TK1TYMP
SCHEMBL3565717 0.70 DUT (0.54) DUTTK2TK1MAPTCYP2C9

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
EP-2007750-B1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
EP-2007750-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-31 EP disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
WO-2007113232-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
WO-2007113232-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 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 (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-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione AZI2, NT5C3B, CYP1B1 DUT 8/4885TK2 723/4885TK1 386/4885

“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.