SCHEMBL12021320

SCHEMBL12021320

CC(C)Oc1cc(Oc2ccc(P(=O)(O)O)cc2)cc(C(=O)Nc2nc3ccccc3s2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.53
▸ SCD O00767 6/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ DHODH Q02127 1/20 0.53
▸ TOP1 P11387 2/20 0.50
▸ GCK P35557 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KLF5 Q13887 1/20 0.47
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46

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
SCHEMBL12021408 0.86 GCK (0.52) GCK
SCHEMBL16674415 0.86 GCK (0.49) MEN1KMT2AGCKKDM4EL3MBTL1
SCHEMBL12021481 0.85 GCK (0.55) NPC1RAB9AGCKSMN1; SMN2
SCHEMBL18707629 0.84 GCK (0.62) NPC1RAB9AMEN1KMT2AGCK
SCHEMBL12021499 0.84 GCK (0.62) NPC1RAB9AMEN1KMT2AGCK
SCHEMBL12021355 0.82 GCK (0.52) GCK
SCHEMBL12021520 0.81 GCK (0.52) NPC1RAB9AMEN1KMT2AGCK
SCHEMBL12021541 0.81 GCK (0.51) GCK
SCHEMBL12021296 0.80 GCK (0.52) NPC1RAB9AMEN1KMT2AGCK
SCHEMBL12021247 0.80 GCK (0.75) NPC1RAB9AGCKSMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174062-B2 Activators of glucokinase METABASIS THERAPEUTICS, INC. (US) 2019-01-08 — — US disclosed
US-10005805-B2 — — 2018-06-26 — — US disclosed
US-10005805-B2 — — 2018-06-26 — — US disclosed
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
US-9522926-B2 Activators of glucokinase METABASIS THERAPEUTICS, INC. (US) 2016-12-20 — — US disclosed
US-9522926-B2 Activators of glucokinase METABASIS THERAPEUTICS, INC. (US) 2016-12-20 — — US disclosed
US-20150119365-A1 NOVEL ACTIVATORS OF GLUCOKINASE CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-30 — — US disclosed
US-20150119365-A1 NOVEL ACTIVATORS OF GLUCOKINASE CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-30 — — US disclosed
US-8940927-B2 Activators of glucokinase METABASIS THERAPEUTICS, INC. (US) 2015-01-27 — — US disclosed
US-8940927-B2 Activators of glucokinase METABASIS THERAPEUTICS, INC. (US) 2015-01-27 — — US disclosed
US-20110294758-A1 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. (US) 2011-12-01 — — US disclosed
US-20110294758-A1 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. (US) 2011-12-01 — — 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 (5 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-10005805-B2 — GCKR, GCK, HK1 NPC1 751/4885SCD 651/4885RAB9A 2395/4885
US-20150119365-A1 NOVEL ACTIVATORS OF GLUCOKINASE GCKR, GCK, HK1 NPC1 1223/4885SCD 921/4885RAB9A 2391/4885
US-20110294758-A1 NOVEL ACTIVATORS OF GLUCOKINASE GCKR, GCK, HK1 NPC1 1223/4885SCD 921/4885RAB9A 2391/4885
US-20170096440-A1 NOVEL ACTIVATORS OF GLUCOKINASE GCKR, GCK, HK1 NPC1 1223/4885SCD 921/4885RAB9A 2391/4885
US-10174062-B2 Activators of glucokinase GCKR, GCK, HK1 NPC1 1265/4885SCD 894/4885RAB9A 2523/4885

“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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