SCHEMBL18707629

SCHEMBL18707629

CC(C)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nc3cc(P(=O)(O)O)ccc3s2)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 18/20 0.62
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ KCNH2 Q12809 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.50
▸ RXFP1 Q9HBX9 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
SCHEMBL12021499 0.93 GCK (0.62) GCKKDM4EALDH1A1MEN1NPC1
SCHEMBL12021228 0.87 GCK (0.61) GCKKCNH2
SCHEMBL12021320 0.84 NPC1 (0.53) GCKKDM4EMEN1NPC1RAB9A
SCHEMBL12021278 0.83 GCK (0.62) GCKKDM4EALDH1A1MEN1NPC1
SCHEMBL2669971 0.83 GCK (0.71) GCKKDM4ERAB9AKCNH2
SCHEMBL12021329 0.82 GCK (0.62) GCKKCNH2
SCHEMBL12021674 0.81 GCK (0.67) GCKKCNH2
SCHEMBL3605942 0.80 GCK (0.70) GCKKCNH2
SCHEMBL9982925 0.79 GCK (0.71) GCKKCNH2
SCHEMBL12021481 0.79 GCK (0.55) GCKNPC1MAPTRAB9ASMN1; SMN2

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-20170096440-A1 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. 2017-04-06 — — US disclosed
US-20170096440-A1 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. 2017-04-06 — — US 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-20170096440-A1 NOVEL ACTIVATORS OF GLUCOKINASE GCKR, GCK, HK1 GCK 2/4885KDM4E 3996/4885ALDH1A1 2389/4885

“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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