SCHEMBL3570329

SCHEMBL3570329

CN1CCN(S(=O)(=O)c2ccc([C@@H](CC3CCCC3)C(=O)Nc3nncs3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.64
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
KCNH2 Q12809 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2657205 1.00 GCK (0.64) GCKKDM4EALDH1A1GAAMAPT
SCHEMBL2657715 0.85 GCK (0.68) GCKALDH1A1
SCHEMBL3569078 0.85 GCK (0.68) GCKALDH1A1
SCHEMBL1420087 0.84 GCK (0.59) GCKKCNH2
SCHEMBL2655792 0.84 GCK (0.66) GCKKDM4EALDH1A1
SCHEMBL3556353 0.84 GCK (0.66) GCKKDM4EALDH1A1
SCHEMBL3573258 0.83 GCK (0.65) GCKKDM4EALDH1A1GAAMEN1
SCHEMBL2654525 0.83 GCK (0.65) GCKKDM4EALDH1A1GAAMEN1
SCHEMBL3567549 0.83 GCK (0.63) GCKKCNH2
SCHEMBL2655530 0.83 GCK (0.63) GCKKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795257-B2 Organic compounds NOVARTIS AG (CH) 2010-09-14 US claimed
US-20080318948-A1 Organic Compounds NOVARTIS AG (CH) 2008-12-25 US claimed

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-20080318948-A1 Organic Compounds GCK, GCKR, SLC2A2 GCK 1/4885KDM4E 1660/4885ALDH1A1 236/4885

“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.