SCHEMBL3659567

SCHEMBL3659567

CC(C)c1ccc(CN2CC(OS(C)(=O)=O)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.45
MAOB P27338 1/20 0.45
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
FAAH O00519 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
ACHE P22303 2/20 0.39
IDO1 P14902 1/20 0.39
S1PR5 Q9H228 2/20 0.39

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
SCHEMBL5746137 0.82 FUCA1 (0.47) BCHEMAOBSMN1; SMN2HRH3MEN1
SCHEMBL21092816 0.80 LTA4H (0.48) BCHEMAOBPTPN1ALDH1A1HTT
SCHEMBL1668468 0.79 PTPN1 (0.52) BCHEMAOBPTPN1HRH3CA12
SCHEMBL3659251 0.79 KDM4E (0.51) ALDH1A1HRH3CA12CA1CA2
SCHEMBL3879104 0.78 PTPN1 (0.50) PTPN1HRH3FAAHS1PR5S1PR1
SCHEMBL3803282 0.78 MCOLN3 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL865382 0.77 ALDH1A1 (0.51) BCHEMAOBALDH1A1HTTSMN1; SMN2
SCHEMBL11466230 0.76 HRH3 (0.40) ALDH1A1HRH3CA1CA2MEN1
SCHEMBL11460189 0.75 SIGMAR1 (0.50) ALDH1A1SMN1; SMN2FAAHMEN1KMT2A
SCHEMBL24246890 0.74 ALDH1A1 (0.46) BCHEMAOBPTPN1ALDH1A1HTT

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
US-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2011-03-10 US disclosed
US-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2011-03-10 US disclosed
US-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2011-03-10 US disclosed
EP-2215077-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS Prosidion Limited (GB) 2010-08-11 EP disclosed
WO-2009050522-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-04-23 WO disclosed
WO-2009050522-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-04-23 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-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists GPR119, GIPR, GPR39 BCHE 3552/4885MAOB 2242/4885PTPN1 1103/4885

“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.