Sugi Predict

Sugi Predict / Compounds / SCHEMBL1121574

SCHEMBL1121574

SCHEMBL1121574

CCOc1cc(C=O)cc(OCC)c1I

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.56
▸ KDM4E B2RXH2 2/20 0.51
▸ L3MBTL1 Q9Y468 4/20 0.48
▸ LMNA P02545 2/20 0.46
▸ TACR2 P21452 1/20 0.45
▸ HPGD P15428 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ FDPS P14324 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ TOP2A P11388 1/20 0.38
▸ GAA P10253 1/20 0.37

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
SCHEMBL1748593 0.90 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1LMNATACR2
SCHEMBL2961286 0.88 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1LMNATACR2
SCHEMBL14034625 0.88 ALDH1A1 (0.61) ALDH1A1KDM4EL3MBTL1LMNATACR2
SCHEMBL6557100 0.85 FDPS (0.46) ALDH1A1KDM4EL3MBTL1LMNAHPGD
SCHEMBL2958563 0.84 TACR2 (0.54) ALDH1A1KDM4EL3MBTL1LMNATACR2
SCHEMBL14034662 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EL3MBTL1LMNATACR2
SCHEMBL16055545 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EL3MBTL1LMNATACR2
SCHEMBL1515912 0.82 MAPT (0.45) ALDH1A1KDM4EL3MBTL1LMNAHPGD
SCHEMBL3636709 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EL3MBTL1LMNATACR2
SCHEMBL6850758 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EL3MBTL1LMNATACR2

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970331-B1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2017-05-17 — — EP disclosed
US-9605000-B2 Spiro azetidine isoxazole derivatives and their use as SSTR antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-28 — — US disclosed
US-20160060273-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-03 — — US disclosed
EP-2970331-A1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2016-01-20 — — EP disclosed
WO-2014142363-A1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-18 — — WO disclosed
CN-101506165-B Phenyl, pyridine and quinoline derivatives HOFFMANN LA ROCHE 2012-07-04 — — CN disclosed
US-8026255-B2 Substituted piperidines as somatostatin receptor subtype 5 (SSTR5) antagonists HOFFMAN-LA ROCHE INC. (US) 2011-09-27 — — US disclosed
US-8026365-B2 4,4-disubstituted piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-09-27 — — US disclosed
US-8026255-B2 Substituted piperidines as somatostatin receptor subtype 5 (SSTR5) antagonists HOFFMAN-LA ROCHE INC. (US) 2011-09-27 — — US disclosed
US-8026255-B2 Substituted piperidines as somatostatin receptor subtype 5 (SSTR5) antagonists HOFFMAN-LA ROCHE INC. (US) 2011-09-27 — — US disclosed
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 — — US disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 — — WO disclosed
WO-2006128803-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 — — WO disclosed
US-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 — — US disclosed
CN-1186328-C Substd. 5-benzyl-2,4-diaminopyrimidines BASLIDE PHARMA AG (CH) 2005-01-26 — — CN disclosed
EP-1230224-B1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2004-12-29 — — EP disclosed
US-6821980-B1 Substituted 5-benzyl-2,4-diaminopyrimidines BASILEA PHARMACEUTICA AG (CH) 2004-11-23 — — US disclosed
CN-1387516-A Substd. 5-benzyl-2,4-diaminopyrimidines BASLIDE PHARMA AG (CH) 2002-12-25 — — CN disclosed
EP-1230224-A1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-14 — — EP disclosed
WO-2001032633-A1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2001-05-10 — — 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 (3 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-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R ALDH1A1 1384/4885KDM4E 3024/4885L3MBTL1 4745/4885
US-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 ALDH1A1 2449/4885KDM4E 3566/4885L3MBTL1 4438/4885
US-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists SSTR5, SSTR3, SSTR1 ALDH1A1 3425/4885KDM4E 3383/4885L3MBTL1 4455/4885

“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.