SCHEMBL5216032

SCHEMBL5216032

CC(C)S(=O)(=O)N1CCCC1CN

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.33
ALOX5AP P20292 1/20 0.33
LOX P28300 1/20 0.33
HTT P42858 1/20 0.33
EPHX2 P34913 1/20 0.33
XPNPEP1 Q9NQW7 1/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
CYP2D6 P10635 2/20 0.30
HTR7 P34969 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP1A2 P05177 1/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL13154403 0.85 PSEN1 (0.44) EPHX2PSEN1PSEN2APH1BNCSTN
SCHEMBL14271724 0.84 L3MBTL1 (0.43) FEN1ALOX5APLOXEPHX2CYP2D6
SCHEMBL24843815 0.84 SLC6A9 (0.33) EPHX2XPNPEP1PSEN1PSEN2APH1B
SCHEMBL14271725 0.84 L3MBTL1 (0.43) FEN1ALOX5APLOXEPHX2CYP2D6
SCHEMBL5219457 0.84 L3MBTL1 (0.43) FEN1ALOX5APLOXEPHX2CYP2D6
SCHEMBL23775277 0.81 HCRTR2 (0.37) FEN1ALOX5APHTTXPNPEP1PSEN1
SCHEMBL23775311 0.81 HCRTR2 (0.37) FEN1ALOX5APHTTXPNPEP1PSEN1
SCHEMBL13154400 0.80 PSEN1 (0.50) EPHX2PSEN1PSEN2APH1BNCSTN
SCHEMBL5223107 0.80 CASP3 (0.33)
SCHEMBL13140995 0.76 PSEN1 (0.39) HTTPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399433-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-08-22 EP disclosed
US-7183290-B2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-02-27 US disclosed
US-20040242636-A1 Enzyme inhibitors as antiinflammatory ageents for psoriasis, obesity SMITHKLINE BEECHAM CORPORATION 2004-12-02 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-20040242636-A1 Enzyme inhibitors as antiinflammatory ageents for psoriasis, obesity DPP4, DPP7, DPP3 FEN1 2734/4885ALOX5AP 1447/4885LOX 570/4885

“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.