SCHEMBL2007284

SCHEMBL2007284

O=C(O)c1cnc2c(c1)N(S(=O)(=O)c1ccccc1)CCO2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 3/20 0.52
RORC P51449 4/20 0.49
NR1H3 Q13133 1/20 0.48
AKR1C3 P42330 2/20 0.46
CPT2 P23786 1/20 0.46
AKR1C1 Q04828 1/20 0.46
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR6 P50406 3/20 0.44
MCL1 Q07820 1/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL2001969 0.91 CPT1A (0.47) CPT1ARORCNR1H3AKR1C3CPT2
SCHEMBL2003367 0.91 CPT1A (0.52) CPT1ARORCNR1H3AKR1C3CPT2
SCHEMBL2005380 0.90 CPT1A (0.49) CPT1ARORCNR1H3CPT2CYP2C9
SCHEMBL2001536 0.90 RORC (0.58) CPT1ARORCCPT2CYP2C9MEN1
SCHEMBL2001670 0.90 RORC (0.58) CPT1ARORCNR1H3CYP2C9MEN1
SCHEMBL2007152 0.89 MCL1 (0.54) CPT1ARORCAKR1C3CPT2AKR1C1
SCHEMBL2005083 0.89 CPT1A (0.59) CPT1ARORCAKR1C3CPT2AKR1C1
SCHEMBL2001468 0.89 RORC (0.51) CPT1ARORCNR1H3AKR1C3CPT2
SCHEMBL2002774 0.89 CPT1A (0.49) CPT1ARORCAKR1C3CPT2AKR1C1
SCHEMBL2001117 0.88 CPT1A (0.56) CPT1ARORCNR1H3CPT2CYP2C9

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 CPT1A 3067/4885RORC 122/4885NR1H3 328/4885

“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.