SCHEMBL2247040

SCHEMBL2247040

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.42
CTSB P07858 2/20 0.42
CTSS P25774 2/20 0.42
NR1H2 P55055 7/20 0.36
NR1H3 Q13133 7/20 0.36
HSD11B1 P28845 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
AKR1C3 P42330 1/20 0.35
GPR119 Q8TDV5 2/20 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
SCHEMBL2244341 0.90 LMNA (0.37) CTSKCTSBCTSSNR1H2NR1H3
SCHEMBL2247211 0.89 CTSK (0.38) CTSK
SCHEMBL2247667 0.89 CTSK (0.38) CTSK
SCHEMBL2246304 0.87 FAAH (0.43) CTSK
SCHEMBL2246936 0.87 CTSK (0.39) CTSKCTSBCTSS
SCHEMBL2244373 0.87 CTSK (0.40) CTSKHSD11B1
SCHEMBL2247661 0.86 CHRM4 (0.40) CTSK
SCHEMBL2247117 0.86 CTSK (0.36) CTSK
SCHEMBL2247690 0.86 CHRM2 (0.44) CTSKNR1H2NR1H3HSD11B1
SCHEMBL2244659 0.85 ACACB (0.40)

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 CTSK 1886/4885CTSB 558/4885CTSS 1165/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD CTSK 1894/4885CTSB 540/4885CTSS 1112/4885

“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.