SCHEMBL5983334

SCHEMBL5983334

O=C1c2ccccc2C(=O)N1[C@H]1C=CCN(S(=O)(=O)c2ccccn2)C[C@H]1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.35
PKLR P30613 1/20 0.35
ALDH1A1 P00352 6/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CYP1A2 P05177 1/20 0.32
GRM5 P41594 1/20 0.32
HTR6 P50406 2/20 0.32
CYP3A4 P08684 1/20 0.32
SLC6A9 P48067 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
FABP1 P07148 2/20 0.31

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
SCHEMBL5983331 1.00 PKM (0.35) PKMPKLRALDH1A1MAPTL3MBTL1
SCHEMBL4623170 0.79 PSEN1 (0.36) PKMALDH1A1MAPTL3MBTL1PTGDR2
SCHEMBL5982509 0.78 ALDH1A1 (0.40) PKMALDH1A1MAPTL3MBTL1
SCHEMBL5982520 0.78 ALDH1A1 (0.40) PKMALDH1A1MAPTL3MBTL1
SCHEMBL4622098 0.70 ELOVL6 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4623174 0.70 PSEN1 (0.36) PKMPKLRALDH1A1MAPTL3MBTL1
SCHEMBL14040429 0.70 ALDH1A1 (0.31) ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL11040609 0.69 ALDH1A1 (0.38) PKMALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL11040612 0.69 ALDH1A1 (0.38) PKMALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL13784248 0.69 PKM (0.40) PKMPKLRALDH1A1L3MBTL1PSEN1

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-20060052365-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-03-09 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-20060052365-A1 Protease inhibitors CTSS, CTSE, CMA1 PKM 3396/4885PKLR 2061/4885ALDH1A1 1528/4885

“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.