SCHEMBL2658729

SCHEMBL2658729

CC(C)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nnc(-c3ccco3)s2)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 17/20 0.62
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ XBP1 P17861 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ TP53 P04637 2/20 0.53
▸ GLA P06280 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ KCNH2 Q12809 2/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL13988319 0.82 GCK (0.54) GCK
SCHEMBL12021674 0.81 GCK (0.67) GCKKCNH2
SCHEMBL12021329 0.81 GCK (0.62) GCKKCNH2
SCHEMBL12021505 0.81 GCK (0.62) GCKKCNH2
SCHEMBL12021628 0.81 GCK (0.66) GCKKCNH2
SCHEMBL9072527 0.79 GCK (0.64) GCKKCNH2
SCHEMBL2658714 0.78 GCK (0.73) GCKKCNH2
SCHEMBL3605637 0.77 GCK (0.68) GCKKCNH2
SCHEMBL19774536 0.77 GCK (0.73) GCKKCNH2
SCHEMBL2658597 0.77 GCK (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312207-A1 Compounds SYNGENTA CROP PROTECTION AG (CH) 2008-12-18 — — US claimed
US-20080312207-A1 Compounds SYNGENTA CROP PROTECTION AG (CH) 2008-12-18 — — US disclosed
EP-1718625-A1 COMPOUNDS AstraZeneca AB (SE) 2006-11-08 — — EP disclosed
WO-2005080360-A1 COMPOUNDS ASTRAZENECA AB (SE) 2005-09-01 — — WO disclosed
WO-2005080360-A1 COMPOUNDS ASTRAZENECA AB (SE) 2005-09-01 — — 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-20080312207-A1 Compounds GRK4, PTGER4, GRK5 GCK 111/4885NPC1 2021/4885RAB9A 3476/4885

“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.

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