Sugi Predict

Sugi Predict / Compounds / SCHEMBL2247755

SCHEMBL2247755

SCHEMBL2247755

CCOc1ccc(CCC[C@@H](C(=O)N2CCN(c3c(Cl)cncc3Cl)CC2)[C@@H]2OC(C)(C)OC2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.35
▸ ADORA2B P29275 3/20 0.35
▸ ACACB O00763 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 6/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ ME2 P23368 1/20 0.33
▸ ME1 P48163 1/20 0.33
▸ ME3 Q16798 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ DCTPP1 Q9H773 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL2248042 0.88 MAPT (0.38) ACACBKMT2AADORA3HTR2AHTR7
SCHEMBL2247475 0.88 LMNA (0.42) ACACBKMT2ALMNATP53MAPT
SCHEMBL2250334 0.87 ME2 (0.40) KMT2AHTR2AHTR7SIGMAR1LMNA
SCHEMBL2247253 0.86 HRH3 (0.40) ADORA2BACACBLMNATP53MAPT
SCHEMBL1828390 0.85 ALDH1A1 (0.41) ACACBKMT2AADORA3HTR2AHTR7
SCHEMBL2247586 0.85 TGM2 (0.37) ACACBKMT2AADORA3HTR2AHTR7
SCHEMBL8270754 0.84 ACACB (0.41) ACACBKMT2AADORA3HTR2AHTR7
SCHEMBL2249495 0.84 ACACB (0.41) ACACBKMT2AADORA3HTR2AHTR7
SCHEMBL2551732 0.83 MC4R (0.36) KMT2ALMNATP53MAPTMAPK1
SCHEMBL2245954 0.83 PANK3 (0.44) ME2ME1ME3

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
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

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 ADORA2A 1599/4885ADORA2B 872/4885ACACB 706/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD ADORA2A 1626/4885ADORA2B 890/4885ACACB 687/4885

“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.