SCHEMBL2010123

SCHEMBL2010123

COc1ccc(S(=O)(=O)N2CCOc3ncc(C(=O)NC(C)(C)CO)cc32)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 12/20 0.50
RORC P51449 4/20 0.40
HPGDS O60760 1/20 0.39
POLB P06746 1/20 0.38
HTR6 P50406 1/20 0.38
CPT2 P23786 6/20 0.37
CPT1B Q92523 8/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL2000577 0.90 CPT1A (0.47) CPT1ARORCCNR1CNR2
SCHEMBL2004627 0.89 CPT1A (0.55) CPT1ARORCCPT2CPT1B
SCHEMBL1996982 0.87 CPT1A (0.50) CPT1ARORCHPGDSPOLBHTR6
SCHEMBL1999291 0.85 CPT1A (0.55) CPT1ARORCPOLBHTR6CPT2
SCHEMBL2003554 0.85 CPT1A (0.53) CPT1ARORCPOLBCPT2CPT1B
SCHEMBL2003015 0.81 RORC (0.53) CPT1ARORCCPT2CPT1B
SCHEMBL2005029 0.81 CPT1A (0.46) CPT1ARORCCNR1CNR2
SCHEMBL2000423 0.80 CPT1A (0.57) CPT1ARORCCPT2CPT1B
SCHEMBL2002442 0.79 CPT1A (0.52) CPT1ARORCCPT2CPT1BCNR2
SCHEMBL2002771 0.79 CPT1A (0.54) CPT1ARORCPOLBHTR6

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 122/4885HPGDS 372/4885

“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.