Sugi Predict

Sugi Predict / Compounds / SCHEMBL2247586

SCHEMBL2247586

SCHEMBL2247586

CCOc1ccc(CCC[C@@H](C(=O)N2CCN(c3cccc(Cl)n3)CC2)[C@@H]2OC(C)(C)OC2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 2/20 0.37
▸ SSTR3 P32745 1/20 0.36
▸ MAPT P10636 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ MAPK1 P28482 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ME2 P23368 1/20 0.33
▸ ME1 P48163 1/20 0.33
▸ ME3 Q16798 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ LMNA P02545 3/20 0.33

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
SCHEMBL2249039 0.92 TGM2 (0.40) TGM2MAPTADORA3HTR2AHTR7
SCHEMBL2247391 0.90 PANK3 (0.40) TGM2SSTR3ALDH1A1GAAL3MBTL1
SCHEMBL2250334 0.87 ME2 (0.40) SSTR3MAPTHTR2AHTR7SIGMAR1
SCHEMBL2248042 0.86 MAPT (0.38) MAPTALDH1A1ADORA3HTR2AHTR7
SCHEMBL2247475 0.86 LMNA (0.42) MAPTMAPK1KMT2AME2ME1
SCHEMBL2247253 0.85 HRH3 (0.40) MAPTALDH1A1MAPK1ME2ME1
SCHEMBL2247755 0.85 ADORA2A (0.35) MAPTALDH1A1ADORA3HTR2AHTR7
SCHEMBL1828390 0.84 ALDH1A1 (0.41) MAPTALDH1A1ADORA3HTR2AHTR7
SCHEMBL2245954 0.83 PANK3 (0.44) SSTR3ME2ME1ME3
SCHEMBL2252065 0.83 SMN1; SMN2 (0.47) KMT2AME2ME1ME3L3MBTL1

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
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 — — US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 — — US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 — — US disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 — — US disclosed
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 — — EP disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 — — 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 (2 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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD TGM2 1452/4885SSTR3 3699/4885MAPT 2854/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD TGM2 1576/4885SSTR3 3725/4885MAPT 2896/4885

“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.