SCHEMBL8302040

SCHEMBL8302040

CCOC(=O)c1ccc(N2C(=O)CSCC2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.65
ALDH1A1 P00352 8/20 0.64
HTT P42858 4/20 0.64
HPGD P15428 3/20 0.64
HSP90AA1 P07900 2/20 0.64
CACNA1B Q00975 1/20 0.64
APBA1 Q02410 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
GAA P10253 2/20 0.59
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
IDO1 P14902 1/20 0.55
TSHR P16473 1/20 0.53
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL10731983 0.83 ALDH1A1 (0.54) MAPK1ALDH1A1HTTHPGDHSP90AA1
SCHEMBL2953094 0.81 MAPK1 (0.80) MAPK1ALDH1A1HTTHPGDHSP90AA1
SCHEMBL30533063 0.81 HTT (0.67) MAPK1ALDH1A1HTTHPGDHSP90AA1
SCHEMBL14581231 0.79 MAPK1 (0.45) MAPK1ALDH1A1HTTHPGDHSP90AA1
SCHEMBL8298452 0.79 PDE4D (0.65) ALDH1A1NPSR1TSHRMAPT
SCHEMBL8504670 0.78 HTT (1.00) MAPK1ALDH1A1HTTHPGDHSP90AA1
SCHEMBL4893761 0.76 MEN1 (0.66) MAPK1ALDH1A1HTTHPGDHSP90AA1
SCHEMBL29048967 0.76 HTT (0.62) MAPK1ALDH1A1HTTHPGDHSP90AA1
SCHEMBL8506784 0.76 HTT (0.68) MAPK1ALDH1A1HTTHPGDHSP90AA1
SCHEMBL87450 0.75 CA1 (0.83) ALDH1A1HTTHPGDHSP90AA1CACNA1B

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
US-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
US-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
WO-2005037779-A2 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS USED FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 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-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases DNPEP, PREP, DPP4 MAPK1 3911/4885ALDH1A1 1472/4885HTT 1551/4885

“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.