SCHEMBL1999257

SCHEMBL1999257

CC(C)(C)NC(=O)c1cnc2c(c1)N(S(=O)(=O)c1cccc(OC(F)(F)F)c1)CCO2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 3/20 0.48
RORC P51449 9/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
KDM2B Q8NHM5 1/20 0.42
NAMPT P43490 3/20 0.40
CYP2C9 P11712 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
AKR1C3 P42330 1/20 0.38
CPT2 P23786 1/20 0.38

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
SCHEMBL2000704 0.91 CPT1A (0.48) CPT1ARORCCYP11B1KDM2BCYP2C9
SCHEMBL2001745 0.88 RORC (0.51) CPT1ARORCCYP11B1CYP11B2NPC1
SCHEMBL2002074 0.87 CPT1A (0.48) CPT1ARORCCYP11B1CYP11B2CPT2
SCHEMBL2000867 0.87 CPT1A (0.49) CPT1ARORCCYP2C9
SCHEMBL2001102 0.86 CPT1A (0.56) CPT1ARORCCYP2C9NPC1RAB9A
SCHEMBL2003731 0.86 CPT1A (0.57) CPT1ARORCCPT2
SCHEMBL2002659 0.84 CPT1A (0.55) CPT1ARORCKDM2BNPC1RAB9A
SCHEMBL2004021 0.84 CPT1A (0.53) CPT1ARORCCYP2C9NPC1RAB9A
SCHEMBL1999255 0.84 CPT1A (0.51) CPT1ARORCCYP11B1CYP2C9NPC1
SCHEMBL2002172 0.84 CPT1A (0.50) CPT1ARORCNAMPTCYP2C9NPC1

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 122/4885CYP11B1 803/4885

“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.