Sugi Predict

Sugi Predict / Compounds / SCHEMBL2248042

SCHEMBL2248042

SCHEMBL2248042

CCOc1ccc(CCC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)[C@@H]2OC(C)(C)OC2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.38
▸ PKM P14618 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HTR7 P34969 2/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL8292853 0.92 KMT2A (0.46) MAPTPKMMAPK1SMN1; SMN2HTR2A
SCHEMBL1827719 0.92 KMT2A (0.46) MAPTPKMMAPK1SMN1; SMN2HTR2A
SCHEMBL2244415 0.91 LMNA (0.43) MAPTPKMMAPK1NPSR1USP2
SCHEMBL2249507 0.90 TSHR (0.37) MAPTPKMMAPK1HTR7ADORA3
SCHEMBL2247475 0.89 LMNA (0.42) MAPTPKMMAPK1SMN1; SMN2MEN1
SCHEMBL2247755 0.88 ADORA2A (0.35) MAPTPKMMAPK1SMN1; SMN2HTR7
SCHEMBL2551732 0.87 MC4R (0.36) MAPTMAPK1SMN1; SMN2HSD17B10MEN1
SCHEMBL2248065 0.87 MC4R (0.36) MAPTMAPK1SMN1; SMN2HSD17B10MEN1
SCHEMBL1828390 0.87 ALDH1A1 (0.41) MAPTMAPK1SMN1; SMN2HTR7ADORA3
SCHEMBL2247586 0.86 TGM2 (0.37) MAPTMAPK1SMN1; SMN2HTR7ADORA3

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 MAPT 2854/4885PKM 3652/4885MAPK1 2873/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD MAPT 2896/4885PKM 3727/4885MAPK1 2829/4885

“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.