SCHEMBL5577912

SCHEMBL5577912

CCOC(=O)C1CCN(c2nc(NS(=O)(=O)c3cccc(C(F)(F)F)c3Br)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.43
MAPT P10636 8/20 0.42
ALDH1A1 P00352 3/20 0.42
GPR119 Q8TDV5 5/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 2/20 0.41
TP53 P04637 2/20 0.40
HTT P42858 2/20 0.40
VCAM1 P19320 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
S100A4 P26447 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL389331 0.87 MAPT (0.46) CTSBMAPTALDH1A1GPR119KMT2A
SCHEMBL388686 0.82 MAPT (0.50) CTSBMAPTALDH1A1GPR119KMT2A
SCHEMBL4703363 0.77 SERPINE1 (0.41) CTSBMAPTALDH1A1GPR119KMT2A
SCHEMBL390260 0.74 CTSB (0.51) CTSBMAPTALDH1A1GPR119KMT2A
SCHEMBL4706571 0.72 MAPT (0.60) CTSBMAPTALDH1A1GPR119KMT2A
SCHEMBL388959 0.71 GPR119 (0.49) CTSBMAPTALDH1A1GPR119TP53
SCHEMBL390890 0.71 CTSB (0.47) CTSBMAPTALDH1A1GPR119KMT2A
SCHEMBL4706506 0.71 P2RY12 (0.42) CTSBMAPTALDH1A1GPR119KMT2A
SCHEMBL390261 0.69 CTSB (0.50) CTSBMAPTALDH1A1GPR119KMT2A
SCHEMBL4255322 0.69 CTSB (0.68) CTSBMAPTALDH1A1GPR119KMT2A

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-20070066590-A1 Phenyl-and pyridylpiperidine-derivatives as modulators of glucose metabolism ARENA PHARMACEUTICALS, INC. 2007-03-22 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-20070066590-A1 Phenyl-and pyridylpiperidine-derivatives as modulators of glucose metabolism GPR119, PC, PLPBP CTSB 2421/4885MAPT 3871/4885ALDH1A1 260/4885

“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.