SCHEMBL3573258

SCHEMBL3573258

Cc1cnc(NC(=O)[C@H](CC2CCCC2)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)s1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCK P35557 17/20 0.65
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2654525 1.00 GCK (0.65) GCKKDM4EMEN1ALDH1A1KMT2A
SCHEMBL3558404 0.91 GCK (0.65) GCK
SCHEMBL2655361 0.91 GCK (0.65) GCK
SCHEMBL2648485 0.85 GCK (0.71) GCKNPC1GAARAB9ASMN1; SMN2
SCHEMBL2648488 0.85 GCK (0.71) GCKNPC1GAARAB9ASMN1; SMN2
SCHEMBL27748425 0.85 GCK (0.57) GCKKDM4EMEN1ALDH1A1KMT2A
SCHEMBL2657715 0.84 GCK (0.68) GCKALDH1A1
SCHEMBL3569078 0.84 GCK (0.68) GCKALDH1A1
SCHEMBL3570329 0.83 GCK (0.64) GCKKDM4EMEN1ALDH1A1KMT2A
SCHEMBL2657205 0.83 GCK (0.64) GCKKDM4EMEN1ALDH1A1KMT2A

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 1660/4885MEN1 4553/4885

“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.