SCHEMBL3095216

SCHEMBL3095216

CCOC(=O)c1cc(C2OCCO2)sc1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 8/20 0.43
POLB P06746 2/20 0.43
HIF1A Q16665 1/20 0.43
ALOX12 P18054 1/20 0.40
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 2/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36

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
SCHEMBL3106813 0.83 GAA (0.45) GAAMAPK1MAPTPOLBHIF1A
SCHEMBL16742796 0.72 CDC7 (0.38) GAAMAPK1MAPTPOLBHIF1A
SCHEMBL3109923 0.72 GAA (0.50) GAAMAPK1MAPTPOLBHIF1A
SCHEMBL3099361 0.70 GAA (0.52) GAAMAPK1MAPTPOLBHIF1A
SCHEMBL3107224 0.70 GAA (0.48) GAAMAPK1MAPTPOLBHIF1A
SCHEMBL7117736 0.69 GAA (0.49) GAAMAPK1MAPTPOLBHIF1A
SCHEMBL15358024 0.69 GAA (0.45) GAAMAPK1MAPTPOLBHIF1A
SCHEMBL3106503 0.69 GAA (0.47) GAAMAPK1MAPTPOLBHIF1A
SCHEMBL3102165 0.68 GAA (0.46) GAAMAPK1MAPTPOLBHIF1A
SCHEMBL15358023 0.68 ALDH1A1 (0.43) GAAMAPK1MAPTPOLBHIF1A

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 GAA 2233/4885MAPK1 567/4885MAPT 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.