SCHEMBL839004

SCHEMBL839004

Cc1cnc(NC(=O)[C@@H](O)CO[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)cn1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
GCK P35557 12/20 0.35
KCNH2 Q12809 5/20 0.34
IDO1 P14902 3/20 0.34
CHEK1 O14757 1/20 0.32
ABL1 P00519 2/20 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
SCHEMBL839005 1.00 NOTUM (0.38) NOTUMGCKKCNH2IDO1CHEK1
SCHEMBL839154 0.87 GCK (0.43) NOTUMGCKKCNH2IDO1CHEK1
SCHEMBL839825 0.87 GCK (0.43) NOTUMGCKKCNH2IDO1CHEK1
SCHEMBL839153 0.87 GCK (0.43) NOTUMGCKKCNH2IDO1CHEK1
SCHEMBL840526 0.85 RAB9A (0.45) GCKKCNH2
SCHEMBL840527 0.85 RAB9A (0.45) GCKKCNH2
SCHEMBL838003 0.84 GCK (0.45) NOTUMGCKKCNH2IDO1CHEK1
SCHEMBL838004 0.84 GCK (0.45) NOTUMGCKKCNH2IDO1CHEK1
SCHEMBL1848972 0.84 NOTUM (0.38) NOTUMGCKKCNH2IDO1
SCHEMBL839642 0.82 L3MBTL1 (0.51)

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-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-8071608-B2 Therapeutic agents ASTRAZENECA AB (SE) 2011-12-06 US disclosed
US-8071608-B2 Therapeutic agents ASTRAZENECA AB (SE) 2011-12-06 US disclosed
US-8071608-B2 Therapeutic agents ASTRAZENECA AB (SE) 2011-12-06 US disclosed
EP-2324028-A2 THERAPEUTIC AGENTS 414 AstraZeneca AB (SE) 2011-05-25 EP disclosed
WO-2010116176-A1 PYRAZOLO [4, 5-E] PYRIMIDINE DERIVATIVE AND ITS USE TO TREAT DIABETES AND OBESITY ASTRAZENECA AB (SE) 2010-10-14 WO disclosed
US-20100261733-A1 THERAPEUTIC AGENTS 927 ASTRAZENECA AB (SE) 2010-10-14 US disclosed
US-20100261733-A1 THERAPEUTIC AGENTS 927 ASTRAZENECA AB (SE) 2010-10-14 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100093757-A1 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
WO-2010015849-A2 THERAPEUTIC AGENTS 414 ASTRAZENECA AB (SE) 2010-02-11 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 (2 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-20100093757-A1 THERAPEUTIC AGENTS 414 GCK, GCKR, GPR119 NOTUM 1194/4885GCK 1/4885KCNH2 1438/4885
US-20100261733-A1 THERAPEUTIC AGENTS 927 GCK, GCKR, GALK1 NOTUM 2009/4885GCK 1/4885KCNH2 437/4885

“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.