SCHEMBL289503

SCHEMBL289503

C=COc1cc(C(=O)OC)cc(OC=C)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.44
▸ CA2 P00918 4/20 0.44
▸ CA12 O43570 3/20 0.44
▸ CA7 P43166 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ CA14 Q9ULX7 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ XDH P47989 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ FUT7 Q11130 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NOTUM Q6P988 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41

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
SCHEMBL23534270 0.82 NOTUM (0.51) CA1CA2CA12CA7CA9
SCHEMBL731344 0.80 MAPT (0.53) CA1CA2CA12CA7CA9
SCHEMBL16545194 0.79 NOTUM (0.55) CA1CA2CA12CA7CA9
SCHEMBL24984699 0.77 MAPT (0.64) CA1CA2CA12CA7CA9
SCHEMBL16533400 0.77 MAPT (0.64) CA1CA2CA12CA7CA9
SCHEMBL19333557 0.77 CA1 (0.48) CA1CA2CA12CA7CA9
SCHEMBL2663324 0.77 CA1 (0.48) CA1CA2CA12CA7CA9
SCHEMBL2555406 0.75 CA12 (0.38) CA1CA2CA12CA7CA9
SCHEMBL731013 0.74 LMNA (0.50) CA1CA2CA12CA7CA9
SCHEMBL20763099 0.73 MAPT (0.44) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427465-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2012-03-14 — — EP disclosed
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 — — US disclosed
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 — — US disclosed
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 — — US disclosed
WO-2010129729-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2010-11-11 — — WO disclosed
WO-2010129729-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2010-11-11 — — 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 (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-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS SSTR5, SSTR2, GPR119 CA1 3671/4885CA2 3256/4885CA12 3750/4885

“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.

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