SCHEMBL3569078

SCHEMBL3569078

Cc1csc(NC(=O)[C@H](CC2CCCC2)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCK P35557 16/20 0.68
TDP1 Q9NUW8 1/20 0.53
PKM P14618 1/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL2657715 1.00 GCK (0.68) GCKTDP1PKMALDH1A1
SCHEMBL2655792 0.90 GCK (0.66) GCKALDH1A1
SCHEMBL3556353 0.90 GCK (0.66) GCKALDH1A1
SCHEMBL2654934 0.88 GCK (0.64) GCKALDH1A1
SCHEMBL2655278 0.87 GCK (0.62) GCKTDP1ALDH1A1
SCHEMBL2647374 0.85 GCK (0.71) GCKALDH1A1
SCHEMBL2647371 0.85 GCK (0.71) GCKALDH1A1
SCHEMBL2657205 0.85 GCK (0.64) GCKALDH1A1
SCHEMBL3570329 0.85 GCK (0.64) GCKALDH1A1
SCHEMBL27727420 0.85 GCK (0.51) GCK

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 1/4885TDP1 3142/4885PKM 98/4885

“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.