SCHEMBL2000577

SCHEMBL2000577

CC(C)(CO)NC(=O)c1cnc2c(c1)N(S(=O)(=O)c1ccc(F)cc1F)CCO2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.47
RORC P51449 4/20 0.45
CNR2 P34972 8/20 0.41
CNR1 P21554 4/20 0.41
KDM2B Q8NHM5 1/20 0.36
GRM4 Q14833 1/20 0.36
ALPL P05186 1/20 0.35
NR3C2 P08235 1/20 0.35
GABRA5 P31644 1/20 0.35

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
SCHEMBL2004627 0.92 CPT1A (0.55) CPT1ARORCGRM4
SCHEMBL2010123 0.90 CPT1A (0.50) CPT1ARORCCNR2CNR1
SCHEMBL2002438 0.86 CPT1A (0.47) CPT1ARORCKDM2BGRM4
SCHEMBL2003015 0.84 RORC (0.53) CPT1ARORC
SCHEMBL2005029 0.83 CPT1A (0.46) CPT1ARORCCNR2CNR1
SCHEMBL2001658 0.83 CPT1A (0.50) CPT1ARORCKDM2BGRM4ALPL
SCHEMBL2000773 0.83 CPT1A (0.49) CPT1ARORCGRM4ALPL
SCHEMBL2003554 0.83 CPT1A (0.53) CPT1ARORCALPL
SCHEMBL2002886 0.82 CPT1A (0.52) CPT1ARORCCNR2
SCHEMBL2002442 0.81 CPT1A (0.52) CPT1ARORCCNR2

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 3067/4885RORC 122/4885CNR2 2/4885

“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.