SCHEMBL2245752

SCHEMBL2245752

CCCOc1ccc(N2CCN(C(=O)[C@@H](CC(C)C)[C@@H]3OC(C)(C)OC3=O)[C@H](C)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.42
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
CTSK P43235 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 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
SCHEMBL2244659 0.93 ACACB (0.40) ACACBMAPTALDH1A1HSD17B10
SCHEMBL2246304 0.90 FAAH (0.43) ACACBMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL2244397 0.88 FAAH (0.42) ACACBMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2247117 0.87 CTSK (0.36) ACACBMAPTKDM4EALDH1A1POLB
SCHEMBL2247667 0.87 CTSK (0.38) CTSK
SCHEMBL2247211 0.87 CTSK (0.38) SMN1; SMN2CTSK
SCHEMBL2244441 0.87 CHRM2 (0.46) CTSKCACNA1B
SCHEMBL2246936 0.85 CTSK (0.39) CTSK
SCHEMBL2244373 0.85 CTSK (0.40) ACACBCTSK
SCHEMBL2249295 0.85 FAAH (0.41) KDM4EALDH1A1POLBTAS1R3TAS1R1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US claimed
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 claimed
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 EP claimed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 US claimed
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
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 EP 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 ACACB 706/4885MAPT 2854/4885SMN1; SMN2 1322/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD ACACB 687/4885MAPT 2896/4885SMN1; SMN2 1306/4885

“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.