SCHEMBL3109992

SCHEMBL3109992

COc1cncc(-c2cc(C(CC(C)C)Nc3ccc(C(=O)O)cc3)c(C)o2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
XDH P47989 1/20 0.36
PPARD Q03181 1/20 0.36
CHEK1 O14757 1/20 0.36
PIM3 Q86V86 1/20 0.36
RXRA P19793 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
CTSA P10619 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CLK1 P49759 1/20 0.34

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
SCHEMBL3107515 0.88 GCG (0.46)
SCHEMBL3095333 0.88 AKR1C3 (0.40) MKNK1MKNK2MAPTALDH1A1HPGD
SCHEMBL3102029 0.87 PPARD (0.45) MAPTNPC1GAAALDH1A1HPGD
SCHEMBL3101932 0.87 NPC1 (0.39) MKNK1MKNK2MAPTNPC1GAA
SCHEMBL3107126 0.82 ALDH1A1 (0.47) MAPTNPC1GAAALDH1A1HPGD
SCHEMBL3107457 0.82 GAA (0.41) MAPTNPC1GAAALDH1A1HPGD
SCHEMBL3095683 0.80 GAA (0.41) MAPTNPC1GAAALDH1A1HPGD
SCHEMBL3111558 0.80 RCE1 (0.43) MKNK1MKNK2MAPTNPC1ALDH1A1
SCHEMBL3101751 0.80 AAK1 (0.40) MKNK1MKNK2NPC1GAAALDH1A1
SCHEMBL3106989 0.80 NPC1 (0.39) MAPTNPC1GAARXRAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR MKNK1 3424/4885MKNK2 3480/4885MAPT 4877/4885

“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.