SCHEMBL2000773

SCHEMBL2000773

Cc1cc(F)ccc1S(=O)(=O)N1CCOc2ncc(C(=O)NC(C)(C)C)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.49
RORC P51449 5/20 0.45
GRM4 Q14833 1/20 0.41
CPT2 P23786 2/20 0.38
CPT1B Q92523 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
EPHX2 P34913 1/20 0.36
CYP2C9 P11712 2/20 0.36
ALPL P05186 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 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
SCHEMBL2002886 0.90 CPT1A (0.52) CPT1ARORCCPT2CPT1BEPHX2
SCHEMBL1999081 0.88 RORC (0.57) CPT1ARORCCYP2C9NR1H2NR1H3
SCHEMBL2002859 0.88 CPT1A (0.51) CPT1ARORCGRM4CPT2CPT1B
SCHEMBL2001745 0.85 RORC (0.51) CPT1ARORCCPT2CPT1BHDAC3
SCHEMBL2002771 0.85 CPT1A (0.54) CPT1ARORCCYP2D6CYP2C19RAB9A
SCHEMBL2000577 0.83 CPT1A (0.47) CPT1ARORCGRM4ALPL
SCHEMBL1995771 0.83 CPT1A (0.60) CPT1ARORCCPT2CPT1B
SCHEMBL2008932 0.83 CPT1A (0.44) CPT1ARORCALPL
SCHEMBL2001893 0.82 CPT1A (0.49) CPT1ARORCCPT2CPT1BCYP2C9
SCHEMBL2002659 0.82 CPT1A (0.55) CPT1ARORCCPT2CPT1BALPL

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 122/4885GRM4 1013/4885

“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.