SCHEMBL2244341

SCHEMBL2244341

CC(C)C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@H]1C)[C@@H]1OC(C)(C)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSK P43235 7/20 0.35
CHRM4 P08173 3/20 0.34
CHRM2 P08172 4/20 0.34
CHRM1 P11229 4/20 0.34
CTSB P07858 2/20 0.34
CTSS P25774 2/20 0.34
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
HSD11B1 P28845 3/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 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
SCHEMBL2247040 0.90 CTSK (0.42) CTSKCTSBCTSSHSD11B1NR1H2
SCHEMBL2247690 0.88 CHRM2 (0.44) CTSKCHRM4CHRM2CHRM1HSD11B1
SCHEMBL2247211 0.86 CTSK (0.38) SMN1; SMN2CTSKCHRM4CHRM2CHRM1
SCHEMBL2247667 0.86 CTSK (0.38) CTSKCHRM4CHRM2CHRM1
SCHEMBL2244441 0.86 CHRM2 (0.46) CTSKCHRM4CHRM2CHRM1CHRM5
SCHEMBL2244373 0.86 CTSK (0.40) CTSKCHRM2CHRM1HSD11B1
SCHEMBL2247661 0.85 CHRM4 (0.40) MAPK1CTSKCHRM4CHRM2CHRM1
SCHEMBL2246304 0.84 FAAH (0.43) SMN1; SMN2CTSK
SCHEMBL2246936 0.84 CTSK (0.39) CTSKCHRM4CHRM2CHRM1CTSB
SCHEMBL2247117 0.83 CTSK (0.36) HTTCTSKCHRM4CHRM2CHRM1

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 9 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

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 LMNA 1497/4885MAPK1 2873/4885HTT 39/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD LMNA 1655/4885MAPK1 2829/4885HTT 42/4885

“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.