SCHEMBL2513208

SCHEMBL2513208

COc1cccc(C(=O)NC(CC2CCCCC2)C(=O)Nc2nccs2)c1N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 5/20 0.46
▸ GCK P35557 7/20 0.46
▸ HSPA2 P54652 2/20 0.45
▸ HSPA1A P0DMV8 1/20 0.43
▸ HSPA9 P38646 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL2669289 0.78 GCK (0.60) HSPA5GCKHSPA2HSPA1AHSPA9
SCHEMBL2669288 0.76 GCK (0.53) HSPA5GCKKCNH2
SCHEMBL12228038 0.74 CTSK (0.55) GCKKCNH2
SCHEMBL2659403 0.74 CTSK (0.55) GCKKCNH2
SCHEMBL2514514 0.72 GCK (0.73) GCK
SCHEMBL2646233 0.71 GCK (0.67) GCKNPC1RAB9AADRB2MAPK1
SCHEMBL2672708 0.71 EPHX2 (0.60) GCKMEN1KMT2AKCNH2
SCHEMBL1316330 0.71 EPHX2 (0.60) GCKMEN1KMT2AKCNH2
SCHEMBL2658630 0.70 GCK (0.63) GCKKCNH2
SCHEMBL2645352 0.70 GCK (0.63) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034822-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2011-10-11 — — US disclosed
US-8034822-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2011-10-11 — — US disclosed
EP-2001875-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2008-12-17 — — EP disclosed
WO-2007104034-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-09-13 — — WO disclosed
WO-2007104034-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-09-13 — — WO disclosed
US-20070213349-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-09-13 — — US disclosed
US-20070213349-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-09-13 — — 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-20070213349-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 HSPA5 3154/4885GCK 1/4885HSPA2 2489/4885

“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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