SCHEMBL1150461

SCHEMBL1150461

CS(=O)(=O)c1cc(F)ccc1CCCO

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
ADRA1D P25100 3/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
ESR2 Q92731 2/20 0.40
MPO P05164 3/20 0.38
SLC6A4 P31645 2/20 0.38
PTGS2 P35354 3/20 0.37
CCR2 P41597 1/20 0.37
ADRA2A P08913 1/20 0.36
DDR1 Q08345 1/20 0.36
MEP1B Q16820 1/20 0.35
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35
EPAS1 Q99814 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1512139 0.81 ADRA1D (0.40) ADRA1DADRA1AADRA1BMPOSLC6A4
SCHEMBL2552728 0.81 CA2 (0.41) CA2
SCHEMBL27786995 0.80 ADRA1D (0.39) ADRA1DADRA1AADRA1BSLC6A4PTGS2
SCHEMBL13180014 0.79 KDM4E (0.42) ADRA1DADRA1AADRA1BSLC6A4PTGS2
SCHEMBL1151001 0.77 ADRA1D (0.40) ADRA1DADRA1AADRA1BSLC6A4PTGS2
SCHEMBL5124506 0.76 MAOA (0.39) ADRA1DADRA1AADRA1BMPOSLC6A4
SCHEMBL4012771 0.76 ADRA1D (0.39) ADRA1DADRA1AADRA1BSLC6A4PTGS2
SCHEMBL5663968 0.76 ADRA1D (0.41) CA2ADRA1DADRA1AADRA1BESR2
SCHEMBL1151151 0.76 CA12 (0.43) CA2ADRA1DADRA1AADRA1BDDR1
Hydrochloric Acid SCHEMBL1017408 0.75 MAOA (0.40) ADRA1DADRA1AADRA1BMPOSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2291377-B1 IMIDAZOPYRIMIDINONES AND USES THEREOF AVEXA LTD (AU) 2015-02-18 EP disclosed
US-8431581-B2 Imidazopyrimidines and uses thereof AVEXA LIMITED (AU) 2013-04-30 US disclosed
US-8431581-B2 Imidazopyrimidines and uses thereof AVEXA LIMITED (AU) 2013-04-30 US disclosed
US-8431581-B2 Imidazopyrimidines and uses thereof AVEXA LIMITED (AU) 2013-04-30 US disclosed
US-20110028487-A1 IMIDAZOPYRIMIDINES AND USES THEREOF AVEXA LIMITED (AU) 2011-02-03 US disclosed
US-20110028487-A1 IMIDAZOPYRIMIDINES AND USES THEREOF AVEXA LIMITED (AU) 2011-02-03 US disclosed
US-20110028487-A1 IMIDAZOPYRIMIDINES AND USES THEREOF AVEXA LIMITED (AU) 2011-02-03 US disclosed
WO-2010000031-A1 IMIDAZOPYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-01-07 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-20110028487-A1 IMIDAZOPYRIMIDINES AND USES THEREOF TPMT, DPYD, IMPDH1 CA2 1554/4885ADRA1D 2810/4885ADRA1A 2397/4885

“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.