Sugi Predict

Sugi Predict / Compounds / SCHEMBL2247202

SCHEMBL2247202

SCHEMBL2247202

CCOc1ccc(CCC[C@@H](C(=O)N2CCN(C3CCCCC3)CC2)[C@@H]2OC(C)(C)OC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ACACB O00763 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SLC6A5 Q9Y345 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ OPRM1 P35372 2/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL1828390 0.90 ALDH1A1 (0.41) ALDH1A1TSHRKMT2AHTTL3MBTL1
SCHEMBL2244670 0.85 ADORA3 (0.43) ALDH1A1KMT2ALMNAHTTL3MBTL1
SCHEMBL2252368 0.85 MEN1 (0.37) ALDH1A1KMT2AHTTMAPTACACB
SCHEMBL2247475 0.84 LMNA (0.42) KMT2ALMNAHTTMAPTACACB
SCHEMBL2253918 0.83 MAPT (0.46) ALDH1A1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL2244382 0.83 ADAMTS5 (0.41) ALDH1A1KMT2AMAPTACACBSMN1; SMN2
SCHEMBL2249495 0.83 ACACB (0.41) ALDH1A1KMT2ALMNAL3MBTL1MAPT
SCHEMBL1828213 0.83 MCHR1 (0.40) ALDH1A1MAPTACACBMAPK1ADORA3
SCHEMBL8270754 0.83 ACACB (0.41) ALDH1A1KMT2ALMNAL3MBTL1MAPT
SCHEMBL2247318 0.83 MAPT (0.47) ALDH1A1MAPT

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 ALDH1A1 354/4885TSHR 3376/4885KMT2A 1561/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD ALDH1A1 313/4885TSHR 3346/4885KMT2A 1515/4885

“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.