SCHEMBL2007152

SCHEMBL2007152

O=C(O)c1cnc2c(c1)N(S(=O)(=O)c1ccc3ccccc3c1)CCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.54
CPT1A P50416 3/20 0.47
RORC P51449 4/20 0.46
CYP11B1 P15538 1/20 0.45
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AKR1C3 P42330 2/20 0.42

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
SCHEMBL2007284 0.89 CPT1A (0.52) MCL1CPT1ARORCCYP11B1AKR1C3
SCHEMBL2005380 0.87 CPT1A (0.49) MCL1CPT1ARORCSMN1; SMN2CPT2
SCHEMBL1999255 0.86 CPT1A (0.51) MCL1CPT1ARORCCYP11B1HDAC3
SCHEMBL2005185 0.84 CPT1A (0.51) CPT1ARORCSMN1; SMN2L3MBTL1CPT2
SCHEMBL2002807 0.84 RORC (0.60) CPT1ARORCAKR1C3AKR1C1CPT2
SCHEMBL2001670 0.84 RORC (0.58) CPT1ARORCCYP11B1
SCHEMBL2001536 0.84 RORC (0.58) CPT1ARORCCYP11B1CPT2
SCHEMBL12569922 0.83 CPT1A (0.54) CPT1ARORCCYP11B1SMN1; SMN2ALDH1A1
SCHEMBL2001468 0.83 RORC (0.51) CPT1ARORCCYP11B1HDAC3HDAC1
SCHEMBL2002774 0.83 CPT1A (0.49) CPT1ARORCCYP11B1AKR1C3AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MCL1 3717/4885CPT1A 3067/4885RORC 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.