SCHEMBL2243429

SCHEMBL2243429

COc1ccc(N2CCN(C(=O)[C@@H](CC(C)C)[C@H](O)C(=O)O)[C@H](C)C2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
HIF1A Q16665 5/20 0.40
FAAH O00519 4/20 0.40
CHRM4 P08173 3/20 0.40
CCR1 P32246 2/20 0.40
PTGDR Q13258 1/20 0.39
ROCK2 O75116 2/20 0.37
PRKG1 Q13976 2/20 0.37
POLB P06746 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
SCHEMBL2245327 0.92 CHRM4 (0.49) FAAHCHRM4CCR1ROCK2PRKG1
SCHEMBL13876592 0.90 CTSB (0.44) CTSBCTSSCTSKHIF1AFAAH
SCHEMBL2244343 0.90 CTSB (0.44) CTSBCTSSCTSKHIF1AFAAH
SCHEMBL2250358 0.87 FAAH (0.48) FAAHROCK2PRKG1
SCHEMBL2246677 0.87 FAAH (0.45) FAAHPTGDRROCK2PRKG1POLB
SCHEMBL2245396 0.86 FAAH (0.51) FAAHROCK2PRKG1
SCHEMBL2244612 0.86 CHRM4 (0.42) FAAHCHRM4PTGDR
SCHEMBL2245046 0.85 FAAH (0.46) HIF1AFAAH
SCHEMBL2249201 0.84 FAAH (0.37) CTSBCTSSCTSKFAAHCHRM4
SCHEMBL3879190 0.84 FAAH (0.37) CTSBCTSSCTSKFAAHCHRM4

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

“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.