SCHEMBL3094886

SCHEMBL3094886

CCOC(=O)c1cc(Br)sc1C(C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 2/20 0.42
MAPT P10636 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40

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
SCHEMBL3100139 0.79 GAA (0.49) GAAMAPK1TSHRMAPTSMN1; SMN2
SCHEMBL20269597 0.79 GAA (0.49) GAAMAPK1TSHRMAPTSMN1; SMN2
SCHEMBL3109923 0.76 GAA (0.50) GAAMAPK1TSHRMAPTSMN1; SMN2
SCHEMBL20723582 0.73 KDM4E (0.48) GAAMAPK1TSHRMAPTSMN1; SMN2
SCHEMBL12986742 0.72 GSK3B (0.38) GAAMAPK1TSHRMAPTSMN1; SMN2
SCHEMBL23413574 0.72 GAA (0.54) GAATSHRMAPTSMN1; SMN2KMT2A
SCHEMBL5922124 0.71 ALDH1A1 (0.46) GAAMAPK1TSHRMAPTSMN1; SMN2
SCHEMBL20028533 0.71 ALDH1A1 (0.56) GAATSHRMAPTSMN1; SMN2RAB9A
SCHEMBL1531268 0.70 MAPT (0.63) GAAMAPK1MAPTSMN1; SMN2RAB9A
SCHEMBL1976780 0.69 ALOX15 (0.58) GAAMAPK1MAPTSMN1; SMN2RAB9A

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 567/4885TSHR 60/4885

“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.