SCHEMBL2000839

SCHEMBL2000839

CC(C)(C)N(CCC#N)C(=O)c1cnc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CCO2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.39
JAK2 O60674 2/20 0.39
TYK2 P29597 2/20 0.39
JAK1 P23458 1/20 0.39
CPT1A P50416 2/20 0.38
CYP11B1 P15538 1/20 0.38
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.37
NR1H3 Q13133 2/20 0.37
NR1H2 P55055 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.35
KDM2B Q8NHM5 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL2005685 0.90 RORC (0.41) RORCCPT1ACYP11B1MAPTNR1H3
SCHEMBL2000557 0.88 RORC (0.42) RORCJAK2TYK2CPT1ACYP11B1
SCHEMBL1999742 0.88 CPT1A (0.43) RORCCPT1ACYP11B1MAPTNR1H3
SCHEMBL2005473 0.88 RORC (0.41) RORCCPT1ACYP11B1MAPTNR1H3
SCHEMBL12570127 0.87 RORC (0.39) RORCCPT1ACYP11B1MAPTNR1H3
SCHEMBL2002539 0.84 RORC (0.44) RORCCPT1ACYP11B1MAPTNR1H3
SCHEMBL1997586 0.83 GPBAR1 (0.31) RORC
SCHEMBL1999356 0.80 RORC (0.43) RORCCPT1ACYP11B1MAPTNR1H3
SCHEMBL2010709 0.80 CPT1A (0.42) RORCCPT1ACYP11B1MAPTNR1H3
SCHEMBL12625796 0.79 RORC (0.41) RORCCPT1ANR1H3NR1H2CYP2C9

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 3 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-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 US 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 RORC 122/4885JAK2 410/4885TYK2 606/4885

“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.