SCHEMBL2248128

SCHEMBL2248128

CC(C)C[C@H](C(=O)N1CCN(c2cccc(Cl)c2)C[C@H]1C)[C@H](O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MGLL Q99685 1/20 0.43
FAAH O00519 3/20 0.43
OPRK1 P41145 1/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A9 P48067 1/20 0.41
PTPN11 Q06124 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2247394 0.90 MMP1 (0.43) NOTUMLMNATSHRMAPK1RECQL
SCHEMBL2245396 0.89 FAAH (0.51) FAAHMEN1KMT2ASLC6A9ALDH1A1
SCHEMBL2244302 0.89 SMN1; SMN2 (0.41) NOTUMFAAHSLC6A9SMN1; SMN2
SCHEMBL2247701 0.84 GAA (0.41) FAAH
SCHEMBL3879190 0.84 FAAH (0.37) LMNATSHRFAAHPOLBALDH1A1
SCHEMBL2249201 0.84 FAAH (0.37) LMNATSHRFAAHPOLBALDH1A1
SCHEMBL2252499 0.84 MAPT (0.46) LMNAALDH1A1
SCHEMBL2243429 0.83 CTSB (0.44) FAAHPOLB
SCHEMBL2246872 0.82 SCD5 (0.45) LMNATSHRMAPK1FAAHPOLB
SCHEMBL2246677 0.82 FAAH (0.45) TSHRFAAHPOLBKMT2AALDH1A1

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 NOTUM 1252/4885LMNA 1497/4885TSHR 3376/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD NOTUM 1173/4885LMNA 1655/4885TSHR 3346/4885

“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.