SCHEMBL1097924

SCHEMBL1097924

O=C(O)[C@H](CC1CCCCC1)N1Cc2ccccc2C1=O

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.63
▸ MAPT P10636 2/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ KDM4E B2RXH2 2/20 0.58
▸ MAPK1 P28482 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ XIAP P98170 1/20 0.53
▸ HKDC1 Q2TB90 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ STAT3 P40763 1/20 0.52
▸ REN P00797 4/20 0.50
▸ SDCBP O00560 4/20 0.50
▸ SDC2 P34741 4/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ THRB P10828 1/20 0.47

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
SCHEMBL6184728 1.00 ALOX15 (0.63) ALOX15MAPTSMN1; SMN2KDM4EMAPK1
SCHEMBL6187371 1.00 ALOX15 (0.63) ALOX15MAPTSMN1; SMN2KDM4EMAPK1
SCHEMBL1097927 1.00 ALOX15 (0.63) ALOX15MAPTSMN1; SMN2KDM4EMAPK1
SCHEMBL6186957 1.00 ALOX15 (0.63) ALOX15MAPTSMN1; SMN2KDM4EMAPK1
SCHEMBL13584056 0.99 ALOX15 (0.64) ALOX15MAPTSMN1; SMN2KDM4EMAPK1
SCHEMBL6187235 0.99 ALOX15 (0.64) ALOX15MAPTSMN1; SMN2KDM4EMAPK1
SCHEMBL13585171 0.94 ALOX15 (0.67) ALOX15MAPTSMN1; SMN2KDM4EMAPK1
SCHEMBL13585168 0.94 ALOX15 (0.67) ALOX15MAPTSMN1; SMN2KDM4EMAPK1
SCHEMBL2669076 0.89 ALOX15 (0.52) ALOX15MAPTSMN1; SMN2KDM4EMAPK1
SCHEMBL1107311 0.88 ALOX15 (0.51) ALOX15MAPTSMN1; SMN2KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697705-B2 Isoindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2014-04-15 — — US disclosed
EP-2059522-B1 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2014-01-08 — — EP disclosed
CN-103502242-A Isoindolinone derivatives HOFFMANN LA ROCHE 2014-01-08 — — CN disclosed
US-8614332-B2 Substituted pyrazolylamides useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-24 — — US disclosed
US-20130296339-A1 ISOINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (US) 2013-11-07 — — US disclosed
US-8470866-B2 Isoindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2013-06-25 — — US disclosed
US-20120283271-A1 ISOINDOLINONE DERIVATIVES BERTHEL STEVEN JOSEPH (US) 2012-11-08 — — US disclosed
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 — — US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 — — US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 — — US disclosed
US-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 — — US disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 — — US disclosed
EP-1349856-B1 ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-06-15 — — EP disclosed
EP-1349856-A2 ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 — — EP disclosed
US-6482951-B2 ISOINDOLIN-1-ONE-SUBSTITUTED PROPIONAMIDE GLUCOKINASE ACTIVATORS WHICH INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES HOFFMANN-LA ROCHE INC. 2002-11-19 — — US disclosed
US-20020082260-A1 Isoindolin-1-one glucokinase activators GUERTIN KEVIN RICHARD (US) 2002-06-27 — — US disclosed
WO-2002048106-A2 ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA-ROCHE AG (CH) 2002-06-20 — — 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 (6 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-20020082260-A1 Isoindolin-1-one glucokinase activators GCKR, GCK, PGK2 ALOX15 3998/4885MAPT 3865/4885SMN1; SMN2 4406/4885
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, MPO, GCK ALOX15 3476/4885MAPT 4710/4885SMN1; SMN2 4603/4885
US-20120283271-A1 ISOINDOLINONE DERIVATIVES GCK, GCKR, PDK2 ALOX15 1580/4885MAPT 3408/4885SMN1; SMN2 3036/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 ALOX15 3777/4885MAPT 4511/4885SMN1; SMN2 4710/4885
US-20130296339-A1 ISOINDOLINONE DERIVATIVES GCK, GCKR, PDK2 ALOX15 1580/4885MAPT 3408/4885SMN1; SMN2 3036/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 ALOX15 3967/4885MAPT 4446/4885SMN1; SMN2 4647/4885

“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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