SCHEMBL1655577

SCHEMBL1655577

CC(O)c1cccc2cc(-c3nccs3)[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.35
RAB9A P51151 1/20 0.34
F2RL1 P55085 1/20 0.33
PDPK1 O15530 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
ITK Q08881 1/20 0.33
SRC P12931 1/20 0.32
CDK2 P24941 1/20 0.32
ZAP70 P43403 1/20 0.32
SYK P43405 1/20 0.32
PTGER3 P43115 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CG P48736 1/20 0.32
HSPA5 P11021 1/20 0.31
HSPA8 P11142 1/20 0.31
HSPA9 P38646 1/20 0.31
HSPA2 P54652 1/20 0.31

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
SCHEMBL1654922 0.77 CBLB (0.37) RAB9A
SCHEMBL1653103 0.77 HSP90AA1 (0.40) METAP1RAB9APDPK1ADORA2AADORA1
SCHEMBL12783283 0.76 METAP1 (0.37) METAP1RAB9APDPK1SRCCDK2
SCHEMBL1653949 0.76 METAP1 (0.37) METAP1RAB9APDPK1ADORA2AADORA1
SCHEMBL18568915 0.76
SCHEMBL1654332 0.76 HPGD (0.31) PTGER3
Hydrochloric Acid SCHEMBL1653250 0.75 METAP1 (0.36) METAP1RAB9APDPK1SRCCDK2
SCHEMBL1653655 0.75 ABCB1 (0.34)
SCHEMBL1653108 0.74 CYP2A6 (0.42) METAP1RAB9APDPK1ADORA2AADORA1
SCHEMBL1654059 0.73 RIPK1 (0.37) PTGER3HSPA5HSPA8HSPA9HSPA2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957070-B2 Glucokinase activator compounds, methods of activating glucokinase and methods of treating diabetes and obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
US-8957070-B2 Glucokinase activator compounds, methods of activating glucokinase and methods of treating diabetes and obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
US-8957070-B2 Glucokinase activator compounds, methods of activating glucokinase and methods of treating diabetes and obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
EP-1873144-B1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-07-23 EP disclosed
EP-1873144-B1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-07-23 EP disclosed
EP-2308839-A1 Fused heterocyclic compounds Takeda Pharmaceutical Company Limited (JP) 2011-04-13 EP disclosed
EP-2308839-A1 Fused heterocyclic compounds Takeda Pharmaceutical Company Limited (JP) 2011-04-13 EP disclosed
US-20090247746-A1 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 US disclosed
US-20090247746-A1 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 US disclosed
US-20090247746-A1 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 US disclosed
EP-1873144-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-01-02 EP disclosed
EP-1873144-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-01-02 EP 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-20090247746-A1 Fused heterocyclic compound GCKR, GCK, GPR119 METAP1 601/4885RAB9A 2871/4885F2RL1 3434/4885

“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.