SCHEMBL2006990

SCHEMBL2006990

CC(C)CS(=O)(=O)N1CCOc2ncc(C(=O)NC(C)(C)C)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 3/20 0.44
HPGDS O60760 1/20 0.38
RORC P51449 4/20 0.36
CYP11B1 P15538 1/20 0.36
SMYD3 Q9H7B4 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31

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
SCHEMBL2000503 0.90 CPT1A (0.47) CPT1AHPGDSRORCHDAC3HDAC4
SCHEMBL2001654 0.87 CPT1A (0.45) CPT1AHPGDSRORCHDAC3HDAC4
SCHEMBL2001197 0.86 CPT1A (0.43) CPT1AHPGDSRORCHDAC3HDAC4
SCHEMBL2001350 0.85 CPT1A (0.45) CPT1ARORCCYP11B1HDAC3HDAC4
SCHEMBL2003018 0.85 CPT1A (0.51) CPT1AHPGDSRORCCPT1B
SCHEMBL2005529 0.84 CPT1A (0.51) CPT1AHPGDSRORCSMYD3POLB
SCHEMBL2006006 0.83 HPGDS (0.42) CPT1AHPGDSSMYD3
SCHEMBL2008932 0.83 CPT1A (0.44) CPT1AHPGDSRORCPOLB
SCHEMBL2001541 0.82 CPT1A (0.46) CPT1AHPGDSRORCHDAC3HDAC4
SCHEMBL12570092 0.82 HPGDS (0.46) CPT1AHPGDSSMYD3POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US claimed
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 US disclosed
US-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 US disclosed
US-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 US disclosed
WO-2009120660-A2 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 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 (1 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-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CNR1, CNR2, TRPV1 CPT1A 3067/4885HPGDS 372/4885RORC 122/4885

“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.